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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H17NO3
Molecular Weight 187.2362
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (3S)-

SMILES

CC(C)C[C@@H](CC(N)=O)CC(O)=O

InChI

InChIKey=NPDKTSLVWGFPQG-ZETCQYMHSA-N
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

HIDE SMILES / InChI

Molecular Formula C9H17NO3
Molecular Weight 187.2362
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:47:22 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:22 GMT 2025
Record UNII
ZG9DTT4Q9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (3S)-
Systematic Name English
(3S)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
Preferred Name English
Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-
Systematic Name English
(S)-(+)-3-(Carbamoylmethyl)-5-methylhexanoic acid
Systematic Name English
Code System Code Type Description
CAS
181289-34-9
Created by admin on Wed Apr 02 19:47:22 GMT 2025 , Edited by admin on Wed Apr 02 19:47:22 GMT 2025
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EPA CompTox
DTXSID60628709
Created by admin on Wed Apr 02 19:47:22 GMT 2025 , Edited by admin on Wed Apr 02 19:47:22 GMT 2025
PRIMARY
FDA UNII
ZG9DTT4Q9Q
Created by admin on Wed Apr 02 19:47:22 GMT 2025 , Edited by admin on Wed Apr 02 19:47:22 GMT 2025
PRIMARY
PUBCHEM
22871591
Created by admin on Wed Apr 02 19:47:22 GMT 2025 , Edited by admin on Wed Apr 02 19:47:22 GMT 2025
PRIMARY