Hippuric Acid

C9H9NO3 — CID 464

IUPAC2-benzamidoacetic acid
SMILESC1=CC=C(C=C1)C(=O)NCC(=O)O
InChIInChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyQIAFMBKCNZACKA-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.30
Rot. Bonds3

About Hippuric Acid

Hippuric Acid (PubChem CID 464) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-benzamidoacetic acid.

Molecular Properties

Compound NameHippuric Acid
PubChem CID464
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-benzamidoacetic acid
SMILESC1=CC=C(C=C1)C(=O)NCC(=O)O
InChIInChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyQIAFMBKCNZACKA-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity197

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze Hippuric Acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Aminohippuric acid
CID 2148
Betamipron
CID 71651
N-Methylbenzamide
CID 11954
Phenylacetylglycine
CID 68144
Phenylpropionylglycine
CID 152323
2-Methylhippuric Acid
CID 91637
N-Benzoylaspartic acid
CID 95664
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
N-(2-Iodobenzoyl)glycine
CID 8614
Methyl hippurate
CID 14566
Amylase
CID 71475145

Frequently Asked Questions

What is the IUPAC name of Hippuric Acid?
The IUPAC name of Hippuric Acid (CID 464) is 2-benzamidoacetic acid.
What is the SMILES notation for Hippuric Acid?
The canonical SMILES for Hippuric Acid is C1=CC=C(C=C1)C(=O)NCC(=O)O.
What is the InChIKey of Hippuric Acid?
The InChIKey is QIAFMBKCNZACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12).
What are the key properties of Hippuric Acid?
Hippuric Acid has a molecular weight of 179.17 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Hippuric Acid is sourced from PubChem (CID 464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).