Sodium hippurate

C9H8NNaO3CAS 532-94-5201.16 g/mol

Open in Covalent MOL file
O−ONHONa+
Carboxylic acid

Properties

Molecular formula
C9H8NNaO3
Molar mass
201.16 g/mol
Exact mass
201.0402 Da
logP
0.69Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
532-94-5
SMILES
[O-]C(=O)CNC(=O)c1ccccc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Glycine, N-benzoyl-, sodium salt (1:1)
  • Hippuric acid, monosodium salt
  • Glycine, N-benzoyl-, monosodium salt
  • Hippuric acid sodium salt
  • N-Benzoylglycine sodium salt

Work with Sodium hippurate

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.

Hippuric acid495-69-2Free acid Methenamine hippurate5714-73-8Salt 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

Sodium p-aminohippurate94-16-670 % similar Sodium phenylacetate114-70-551 % similar Potassium N-phenylglycinate19525-59-850 % similar Picamilon62936-56-549 % similar N-Hippurylglycine1145-32-048 % similar Sodium phenylbutyrate1716-12-747 % similar Sodium phenoxyacetate3598-16-146 % similar Sodium benzoate532-32-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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