U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12N2O
Molecular Weight 128.1723
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Aminoazepan-2-one, (3S)-

SMILES

N[C@H]1CCCCNC1=O

InChI

InChIKey=BOWUOGIPSRVRSJ-YFKPBYRVSA-N
InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12N2O
Molecular Weight 128.1723
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 19:47:42 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:42 GMT 2025
Record UNII
TZ9GA58ZRU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-3-Aminohexahydro-2-azepinone
Preferred Name English
3-Aminoazepan-2-one, (3S)-
Systematic Name English
L-?-Amino-?-caprolactam
Systematic Name English
(S)-3-Amino-2-caprolactam
Systematic Name English
2H-Azepin-2-one, 3-aminohexahydro-, (3S)-
Systematic Name English
(3S)-3-Aminohexahydro-2H-Azepin-2-one
Systematic Name English
(-)-?-Amino-?-caprolactam
Systematic Name English
L-(-)-?-Amino-?-caprolactam
Systematic Name English
3-Amino-2-caprolactam, (S)-
Systematic Name English
(3S)-Amino-?-caprolactam
Systematic Name English
(3S)-3-Aminoazepan-2-one
Systematic Name English
(S)-(-)-?-Amino-?-caprolactam
Systematic Name English
Code System Code Type Description
PUBCHEM
440599
Created by admin on Wed Apr 02 19:47:42 GMT 2025 , Edited by admin on Wed Apr 02 19:47:42 GMT 2025
PRIMARY
FDA UNII
TZ9GA58ZRU
Created by admin on Wed Apr 02 19:47:42 GMT 2025 , Edited by admin on Wed Apr 02 19:47:42 GMT 2025
PRIMARY
CAS
21568-87-6
Created by admin on Wed Apr 02 19:47:42 GMT 2025 , Edited by admin on Wed Apr 02 19:47:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID60331504
Created by admin on Wed Apr 02 19:47:42 GMT 2025 , Edited by admin on Wed Apr 02 19:47:42 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER