chempirical

Phenylacetylglycine

C10H11NO3CAS 500-98-1193.20 g/mol

Open in Covalent MOL file
OOHNHO
Carboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
145 °C
logP
1.27Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
500-98-1
SMILES
O=C(O)CN=C(O)Cc1ccccc1
InChIKey
UTYVDVLMYQPLQB-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)

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Names and synonyms

12 names
  • Glycine, N-(2-phenylacetyl)-
  • Glycine, N-(phenylacetyl)-
  • Phenaceturic acid
  • N-(2-Phenylacetyl)glycine
  • Phenacetylglycine
  • N-Phenacetylglycine
  • N-(Phenylacetyl)glycine
  • NSC 408424
  • NSC 92778
  • 2-(2-Phenylacetamido)acetic acid
  • (2-Phenylacetyl)glycine
  • 2-[(2-Phenylacetyl)amino]acetic acid

Work with Phenylacetylglycine

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

Phenylacetic acid103-82-261 % similar Benzyloxycarbonylglycine1138-80-356 % similar Glycylglycine556-50-353 % similar (2-Phenylacetyl)hydrazine937-39-351 % similar 1,3-Benzenediacetic acid19806-17-850 % similar Glycylglycylglycine556-33-250 % similar Methenamine hippurate5714-73-850 % similar Felbinac5728-52-950 % 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 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

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