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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2O3
Molecular Weight 208.2143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-AMINOBENZOYL)-.BETA.-ALANINE

SMILES

c1cc(ccc1C(=O)NCCC(=O)O)N

InChI

InChIKey=VHAXWROFYVPXMZ-UHFFFAOYSA-N
InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H12N2O3
Molecular Weight 208.2143
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 Jun 26 01:43:45 UTC 2021
Edited
by admin
on Sat Jun 26 01:43:45 UTC 2021
Record UNII
AB85LJQ945
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-AMINOBENZOYL)-.BETA.-ALANINE
Systematic Name English
3-(4-AMINOBENZOYLAMINO)PROPIONIC ACID
Systematic Name English
3-((4-AMINOBENZOYL)AMINO)PROPANOIC ACID
Systematic Name English
.BETA.-ALANINE, N-(4-AMINOBENZOYL)-
Systematic Name English
.BETA.-ALANINE, N-(P-AMINOBENZOYL)-
Common Name English
4-AMINOBENZOYL-.BETA.-ALANINE
Systematic Name English
P-AMINO-N-BENZOYL-.BETA.-ALANINE
Common Name English
Code System Code Type Description
FDA UNII
AB85LJQ945
Created by admin on Sat Jun 26 01:43:45 UTC 2021 , Edited by admin on Sat Jun 26 01:43:45 UTC 2021
PRIMARY
CAS
7377-08-4
Created by admin on Sat Jun 26 01:43:45 UTC 2021 , Edited by admin on Sat Jun 26 01:43:45 UTC 2021
PRIMARY
PUBCHEM
719629
Created by admin on Sat Jun 26 01:43:45 UTC 2021 , Edited by admin on Sat Jun 26 01:43:45 UTC 2021
PRIMARY
EPA CompTox
7377-08-4
Created by admin on Sat Jun 26 01:43:45 UTC 2021 , Edited by admin on Sat Jun 26 01:43:45 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
AMOUNT ADMINISTERED
FECAL