Cas no 181289-34-9 (Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-)

Technical Introduction: (3S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid is a chiral carboxylic acid derivative featuring an amino-oxoethyl substituent at the 3-position and a methyl group at the 5-position of the hexanoic acid backbone. The (3S)-stereochemistry ensures enantiomeric purity, making it valuable for asymmetric synthesis and pharmaceutical applications. The presence of both carboxyl and amide functional groups enhances its utility as a versatile intermediate in peptide modifications or bioactive molecule development. Its defined stereocenter and structural motifs contribute to precise molecular interactions, particularly in drug design and enzymatic studies. The compound’s stability and functional group compatibility further support its use in controlled organic transformations.

Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- structure

181289-34-9 structure

Product Name:Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-

CAS No:181289-34-9

MF:C₉H₁₇NO₃

MW:187.236182928085

MDL:MFCD17676409

CID:136367

PubChem ID:22871591

Update Time:2025-06-07

Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- Chemical and Physical Properties

Names and Identifiers

- Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-
- (3S)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
- (3S)-3-(carbamoylmethyl)-5-methylhexanoic acid
- (S)-(+)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
- (S)-3-(Carbamoylmethyl)-5-methylhexanoic acid
- (S)-3-carbamoylmethyl-5-methyl-hexanoic acid
- AG-E-31359
- CTK0H3865
- Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (S)- (9CI)
- Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-
- DTXSID60628709
- CS-0166135
- (3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid
- NPDKTSLVWGFPQG-ZETCQYMHSA-N
- AKOS017343031
- MFCD17676409
- AU-004/43510389
- 181289-34-9
- (S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic Acid (Pregabalin Impurity
- SCHEMBL664074
- (s)-(+)-3-(carbamoylmethyl)-5-methylhexanoic acid
- STL557312
- 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (3S)-
- ZG9DTT4Q9Q
- BBL103502
- MDL： MFCD17676409
- Inchi： 1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m0/s1
- InChI Key： NPDKTSLVWGFPQG-ZETCQYMHSA-N
- SMILES： OC(C[C@H](CC(N)=O)CC(C)C)=O

Computed Properties

Exact Mass: 187.12091
Monoisotopic Mass: 187.12084340g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 6
Complexity: 189
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: 0.7
Topological Polar Surface Area: 80.4?2

Experimental Properties

PSA: 80.39

Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：Store at recommended temperature

Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
abcr	AB546611-1 g	(3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid; .	181289-34-9	1g	€186.50	2023-06-14
abcr	AB546611-5 g	(3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid; .	181289-34-9	5g	€602.00	2023-06-14
abcr	AB546611-1g	(3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid; .	181289-34-9	1g	€190.80	2025-04-20
abcr	AB546611-5g	(3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid; .	181289-34-9	5g	€619.10	2025-04-20

Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- Suppliers

Amadis Chemical Company Limited

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(CAS:181289-34-9)Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-

Order Number:A1177853

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 01:37

Price ($):367.0

Email:[email protected]

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Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)- Related Literature

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2. Exchanged ligands on the surface of a giant cluster: [(MoO3)176(H2O)63(CH3OH)17Hn](32 – n)–

Chem. Commun., 1998, 1501-1502
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