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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H9NO3.ClH
Molecular Weight 167.591
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-AMINO-5-OXOPENTANOIC ACID HYDROCHLORIDE, (4S)-

SMILES

Cl.N[C@@H](CCC(O)=O)C=O

InChI

InChIKey=IVMTZRQAIVOKHQ-WCCKRBBISA-N
InChI=1S/C5H9NO3.ClH/c6-4(3-7)1-2-5(8)9;/h3-4H,1-2,6H2,(H,8,9);1H/t4-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C5H9NO3
Molecular Weight 131.1299
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:20:03 GMT 2023
Edited
by admin
on Sat Dec 16 18:20:03 GMT 2023
Record UNII
Y3FL98VHD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-AMINO-5-OXOPENTANOIC ACID HYDROCHLORIDE, (4S)-
Common Name English
PENTANOIC ACID, 4-AMINO-5-OXO-, HYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
CAS
116523-56-9
Created by admin on Sat Dec 16 18:20:03 GMT 2023 , Edited by admin on Sat Dec 16 18:20:03 GMT 2023
PRIMARY
FDA UNII
Y3FL98VHD7
Created by admin on Sat Dec 16 18:20:03 GMT 2023 , Edited by admin on Sat Dec 16 18:20:03 GMT 2023
PRIMARY
PUBCHEM
88643425
Created by admin on Sat Dec 16 18:20:03 GMT 2023 , Edited by admin on Sat Dec 16 18:20:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE