N-Hippurylglycine

C₁₁H₁₂N₂O₄CAS 1145-32-0236.23 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₂N₂O₄
Molar mass: 236.23 g/mol
Exact mass: 236.0797 Da
logP: -0.38Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Identifiers

CAS number

1145-32-0

SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)O

InChIKey

FWYPSSZPXQVFRB-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2O4/c14-9(12-7-10(15)16)6-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)

Weigh it out

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

Names and synonyms

1 names

Benzoyl-glycyl-glycine

Work with N-Hippurylglycine

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

P-Methylhippuric acid27115-50-059 % similar P-Aminohippuric acid61-78-959 % similar 4-Nitrohippuric acid2645-07-052 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine1001202-16-949 % similar Fmoc-gly-gly-gly-oh170941-79-449 % similar Sodium hippurate532-94-548 % similar N-Phenylglycine103-01-547 % similar N-(4-Aminobenzoyl)-β-alanine7377-08-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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