chempirical

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

Identifiers

CAS number
532-94-5
SMILES
[O-]C(=O)CNC(=O)c1ccccc1.[Na+]
InChIKey
DNCFUJWSNCPMHC-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3.Na/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.

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

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

PubChem CAS Common Chemistry NIST WebBook