P-aminohippurate
2-[(4-aminobenzoyl)amino]acetate
Molecular Identity
P-aminohippurate
2-[(4-aminobenzoyl)amino]acetate
PubChem CID: 3249988
P-aminohippurate is a hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group. It is a conjugate base of a p-aminohippuric acid.
2D Structure
Properties
C9H9N2O3-
Molecular Formula
193.18
Molecular Weight
g/mol
193.0613
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
95.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
217
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)[O-])NIsomeric SMILES
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)[O-])NSynonyms(16)
p-AminohippurateCHEBI:64703p AminohippurateRefChem:928433AminohippurateGlycine, N-(4-aminobenzoyl)-, ion(1-)54-89-7N-(p-Aminobenzoyl)aminoacetate4-aminohippurate(1-)(4-Aminobenzamido)acetate2-(4-aminobenzamido)acetate[(4-aminobenzoyl)amino]acetateDTXSID401285762BDBM50270006AB01566943_01
Data from PubChem (NCBI)
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Trials and conditions connected to P-aminohippurate
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