Methylhippuric acid

C₁₀H₁₁NO₃CAS 42013-20-7193.20 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
Melting point: 165 °C
logP: 1.38Crippen estimate
Polar surface area: 69.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

42013-20-7

SMILES

Cc1ccccc1C(O)=NCC(=O)O

InChIKey

YOEBAVRJHRCKRE-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

Weigh it out

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

Names and synonyms

9 names

Glycine, N-(2-methylbenzoyl)-
N-(2-Methylbenzoyl)glycine
o-Toluric acid
o-Methylhippuric acid
2-Methylhippuric acid
NSC 163983
(2-Methyl-benzoylamino)-acetic acid
2-[(2-Methylbenzoyl)amino]acetic acid
2-[(2-Methylphenyl)formamido]acetic acid

Work with Methylhippuric 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

Similar compounds

N-(2-Iodobenzoyl)glycine147-58-068 % similar Salicyluric acid487-54-766 % similar Methenamine hippurate5714-73-854 % similar 3-Methylhippuric acid27115-49-753 % similar 2-Methylbenzohydrazide7658-80-253 % similar (2-Methylphenyl)acetic acid644-36-049 % similar Nicotinuric acid583-08-448 % similar (2-Methylphenoxy)acetic acid1878-49-545 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia