Hippuric acid

C9H9NO3CAS 495-69-2179.18 g/mol

Open in Covalent MOL file
OHONHO
Carboxylic acid

Properties

Molecular formula
C9H9NO3
Molar mass
179.18 g/mol
Exact mass
179.0582 Da
Density
1.37 g/mL
Melting point
191.5 °C
logP
1.08Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
495-69-2
SMILES
O=C(O)CN=C(O)c1ccccc1
InChIKey
QIAFMBKCNZACKA-UHFFFAOYSA-N
InChI
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)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • N-Benzoylglycine
  • Benzoylglycine
  • Acetic acid, (benzoylamino)-
  • Benzamidoacetic acid
  • Phenylcarbonylaminoacetic acid
  • Glycine, N-benzoyl-
  • 2-Benzamidoacetic acid
  • NSC 9982
  • 2-(Benzoylamino)acetic acid
  • Benzoyl glycocoll
  • N-(Phenylcarbonyl)glycine
  • 2-(Phenylformamido)acetic acid

Reactions

Work with Hippuric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methenamine hippurate5714-73-8Salt Sodium hippurate532-94-5Salt 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt1137608-69-5Salt

Similar compounds

Betamipron3440-28-670 % similar 3-Methylhippuric acid27115-49-769 % similar Nicotinuric acid583-08-467 % similar Salicyluric acid487-54-761 % similar ((3-(Trifluoromethyl)benzoyl)amino)acetic acid17794-48-860 % similar N-(2-Iodobenzoyl)glycine147-58-059 % similar Methylhippuric acid42013-20-759 % similar N-(Hydroxymethyl)benzamide6282-02-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7

Elsewhere

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