Cas no 78397-39-4 ((S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate)

(S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate structure
78397-39-4 structure
Product Name:(S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate
CAS No:78397-39-4
MF:C11H22N2O4
MW:246.303383350372
CID:1024345
PubChem ID:53770729
Update Time:2025-04-20

(S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate Chemical and Physical Properties

Names and Identifiers

    • (S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate
    • Boc-L-Ornithine methyl ester
    • methyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
    • Boc-Orn-OMe
    • methyl (2S)-5-amino-2-{[(tert-butoxy)carbonyl]amino}pentanoate
    • methyl (S)-5-amino-2-((tert-butoxycarbonyl)amino)pentanoate
    • SCHEMBL6646260
    • (S)-Methyl5-amino-2-((tert-butoxycarbonyl)amino)pentanoate
    • Methyl N~2~-(tert-butoxycarbonyl)-L-ornithinate
    • AKOS016001722
    • L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
    • 78397-39-4
    • DTXSID90706544
    • DB-264579
    • MDL: MFCD23135267
    • Inchi: 1S/C11H22N2O4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m0/s1
    • InChI Key: DOKURIHNVIXJHI-QMMMGPOBSA-N
    • SMILES: O(C(N[C@H](C(=O)OC)CCCN)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 246.15800
  • Monoisotopic Mass: 246.15795719g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 261
  • 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: 0.2
  • Topological Polar Surface Area: 90.6?2

Experimental Properties

  • PSA: 94.14000
  • LogP: 1.69630

(S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate 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%

(S)-Methyl 5-amino-2-((tert-butoxycarbonyl)amino)pentanoate Production Method

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