3-Methylhippuric acid

C10H11NO3CAS 27115-49-7193.20 g/mol

Open in Covalent MOL file
ONHOHO
Carboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
logP
1.38Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
27115-49-7
SMILES
Cc1cccc(C(O)=NCC(=O)O)c1
InChIKey
YKAKNMHEIJUKEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)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

11 names
  • Glycine, N-(3-methylbenzoyl)-
  • Hippuric acid, m-methyl-
  • Hippuric acid, 3-methyl-
  • N-(3-Methylbenzoyl)glycine
  • m-Methylhippuric acid
  • m-Toluric acid
  • 3-Methylbenzoylglycine
  • NSC 201735
  • (3-Methyl-benzoylamino)-acetic acid
  • 2-[(3-Methylbenzoyl)amino]acetic acid
  • 2-[(3-Methylphenyl)formamido]acetic acid

Work with 3-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

Hippuric acid495-69-269 % similar Methenamine hippurate5714-73-863 % similar ((3-(Trifluoromethyl)benzoyl)amino)acetic acid17794-48-861 % similar Nicotinuric acid583-08-456 % similar 3-Methylbenzohydrazide13050-47-055 % similar Methylhippuric acid42013-20-753 % similar m-Toluic acid99-04-751 % similar (3-Methylphenyl)acetic acid621-36-351 % 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

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