aminohippuric acid   Click here for help

GtoPdb Ligand ID: 4810

Abbreviated name: PAH
Synonyms: Aminohippurate Sodium® | p-aminohippurate | p-aminohippuric acid | PAH
Approved drug
aminohippuric acid is an approved drug (FDA (1944))
Comment: Aminohippuric acid is an amide derivative of the amino acid glycine, not naturally found in humans.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 92.42
Molecular weight 194.07
XLogP -2.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc(cc1)N)NCC(=O)O
Isomeric SMILES O=C(c1ccc(cc1)N)NCC(=O)O
InChI InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
Approved drug? Yes (FDA (1944))
IUPAC Name Click here for help
2-[(4-aminophenyl)formamido]acetic acid
Synonyms Click here for help
Aminohippurate Sodium® | p-aminohippurate | p-aminohippuric acid | PAH
Database Links Click here for help
CAS Registry No. 94-16-6
ChEMBL Ligand CHEMBL463
DrugBank Ligand DB00345
DrugCentral Ligand 165
GtoPdb PubChem SID 178101512
PubChem CID 2148
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Wikipedia Aminohippuric_acid