chempirical

P-Methylhippuric acid

C10H11NO3CAS 27115-50-0193.20 g/mol

Open in Covalent MOL file
OHNOOH
AmideCarboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
161–162 °C
logP
0.81Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
27115-50-0
SMILES
Cc1ccc(C(=O)NCC(=O)O)cc1
InChIKey
NRSCPTLHWVWLLH-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)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-(4-methylbenzoyl)-
  • Hippuric acid, p-methyl-
  • N-(4-Methylbenzoyl)glycine
  • p-Toluric acid
  • 4-Methylhippuric acid
  • N-(p-Methylbenzoyl)glycine
  • NSC 126814
  • [[(4-Methylphenyl)carbonyl]amino]acetic acid
  • (4-Methylbenzoylamino)acetic acid
  • 2-[(4-Methylbenzoyl)amino]acetic acid
  • 2-[(4-Methylphenyl)formamido]acetic acid

Work with P-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

P-Aminohippuric acid61-78-967 % similar N-Hippurylglycine1145-32-059 % similar 4-Nitrohippuric acid2645-07-059 % similar 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-953 % similar N-[(4-Methylphenyl)sulfonyl]glycine1080-44-051 % similar 4-Methylbenzohydrazide3619-22-550 % similar P-Tolylacetic acid622-47-950 % similar 3-(4-Methylphenyl)propionic acid1505-50-649 % 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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