Cas no 162537-11-3 ((S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid)

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid is a chiral non-natural amino acid derivative featuring a methoxycarbonyl-protected amine group and a sterically hindered 3,3-dimethylbutanoic acid moiety. Its rigid tertiary alkyl side chain enhances conformational stability, making it valuable in peptide synthesis and medicinal chemistry applications. The (S)-enantiomer offers high stereochemical purity, critical for asymmetric synthesis and bioactive compound development. The methoxycarbonyl (Moc) group provides selective deprotection compatibility, facilitating controlled modifications. This compound is particularly useful in designing enzyme inhibitors, peptidomimetics, and constrained peptide scaffolds due to its resistance to racemization and structural rigidity. Its solubility in common organic solvents further ensures versatility in synthetic workflows.
(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid structure
162537-11-3 structure
Product Name:(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid
CAS No:162537-11-3
MF:C8H15NO4
MW:189.209002733231
MDL:MFCD07778455
CID:65652
PubChem ID:329768752
Update Time:2026-01-22

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid
    • Methylcarbonyl-L-tert-Leucine
    • MOC-L-tert. Leucin
    • N-Methylcarbonyl-L-tert-Leucine
    • Moc-L-Tert-Leucine
    • Methylcarbonyl-L-t-leucine
    • N-Methoxycarbonyl-L-tert-leucine
    • Methoxycarbonyl-L-Tert-Leucine
    • (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid
    • (S)-2-Methoxycarbonylamino-3,3-dimethyl-butyric acid
    • Boc-Glu(OMe)-OH
    • L-Valine,N-(methoxycarbonyl)-3-methyl-
    • N-(Methoxycarbonyl)-
    • N-(Methoxycarbonyl)-L-tert-leucine
    • (2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
    • (2S)-2-[(Methoxycarbonyl)amino]-3,3-dimethylbutanoic acid
    • N-Methoxycarbonyl-3-methyl-L-valine
    • (2S)-2-Acetamido-3,3-dimethylbutanoic acid
    • N-α-Acetyl-L-tert-leucine
    • N-Acyl-tert-Leucine
    • (S)-2-Methoxycarbonylamino-3,3-dimethylbutyric acid
    • Moc-L-tert-lecine
    • MOC-L-tert.Leucine
    • N-Moc-L-tert-Leucine
    • Atazanavir related coMpound A
    • N-Methoxycarbonyl-tert-leucine
    • Methyl Carbonyl L-tert Leucine
    • (S)-N-(METHOXYCARBONYL)-TERT-LEUCINE
    • L-Valine, N-(methoxycarbonyl)-3-methyl-
    • 0L7G8ZHR2P
    • N-(Methoxycarbonyl)-3-methyl-L-valine
    • (2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbut
    • methoxycarbonyl-t-leucine
    • BCP04718
    • HY-59135
    • N-(methoxycarbonyl)-(L)-tert-leucine
    • MFCD07778455
    • NWPRXAIYBULIEI-RXMQYKEDSA-N
    • (S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoicacid
    • Z756468680
    • DTXSID80460466
    • 162537-11-3
    • EN300-6347568
    • ATAZANAVIR SULFATE IMPURITY K [EP IMPURITY]
    • Q-102796
    • PD196036
    • N-methoxycarbonyl-(L)-tert-leucine
    • Atazanavir impurity K
    • CS-B0635
    • AC-23469
    • (2S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid
    • NS00077750
    • AS-16159
    • AKOS010384614
    • UNII-0L7G8ZHR2P
    • SCHEMBL6418
    • DA-75456
    • DB-109677
    • 302555-22-2
    • MDL: MFCD07778455
    • Inchi: 1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
    • InChI Key: NWPRXAIYBULIEI-RXMQYKEDSA-N
    • SMILES: OC([C@H](C(C)(C)C)NC(=O)OC)=O

Computed Properties

  • Exact Mass: 189.10000
  • Monoisotopic Mass: 189.10010796 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 75.6
  • Molecular Weight: 189.21

Experimental Properties

  • Color/Form: Solid
  • Density: 1.126
  • Melting Point: 230?°C
  • Boiling Point: 320.9°C at 760 mmHg
  • Flash Point: 147.9℃
  • Refractive Index: 1.459
  • Solubility: Soluble in ethyl acetate and methanol.
  • PSA: 75.63000
  • LogP: 1.23260
  • Specific Rotation: -4° ~ -6°(c=1, MeOH)

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Security Information

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Production Method

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:162537-11-3)Methoxycarbonyl-L-tert-leucine
Order Number:sfd14927
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:162537-11-3)MOC-L-叔亮氨酸
Order Number:LE25930928
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:53
Price ($):discuss personally

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Spectrogram

1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid Related Literature

Additional information on (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid

Recent Advances in the Study of (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid (CAS: 162537-11-3)

In recent years, (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid (CAS: 162537-11-3) has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various therapeutic applications. The latest studies have focused on its synthesis, biological activity, and potential as a building block for more complex pharmaceutical agents.

One of the key areas of research has been the optimization of synthetic routes for (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid. Recent publications highlight innovative catalytic methods that improve yield and enantioselectivity, addressing previous challenges in large-scale production. These advancements are critical for ensuring the compound's availability for further pharmacological studies and potential clinical applications.

Pharmacological investigations have revealed that (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid exhibits notable activity in modulating specific enzymatic pathways. For instance, studies have demonstrated its role as an inhibitor of certain proteases, which are implicated in various disease states, including inflammatory disorders and cancer. These findings open new avenues for the development of targeted therapies.

Moreover, the compound's utility as a chiral intermediate in the synthesis of more complex molecules has been explored. Researchers have successfully incorporated (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid into the structure of novel drug candidates, enhancing their pharmacological properties. This approach has been particularly valuable in the design of protease inhibitors and other biologically active agents.

In conclusion, the ongoing research on (S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid underscores its importance in modern drug discovery and development. The compound's versatile applications, from its direct biological effects to its role as a synthetic intermediate, highlight its potential to contribute significantly to the advancement of therapeutic strategies. Future studies are expected to further elucidate its mechanisms of action and expand its applications in medicine.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:162537-11-3)Methoxycarbonyl-L-tert-leucine
sfd14927
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:162537-11-3)MOC-L-叔亮氨酸
LE25930928
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email