N-Acetyl-DL-phenylglycine

C10H11NO3CAS 15962-46-6193.20 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acid

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
Melting point
190 °C
logP
1.79Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
15962-46-6
SMILES
CC(O)=NC(C(=O)O)c1ccccc1
InChIKey
VKDFZMMOLPIWQQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

10 names
  • Benzeneacetic acid, α-(acetylamino)-
  • Glycine, N-acetyl-2-phenyl-, DL-
  • α-(Acetylamino)benzeneacetic acid
  • N-Acetyl-DL-2-phenylglycine
  • N-Acetyl-(RS)-2-phenylglycine
  • DL-N-Acetyl-2-phenylglycine
  • N-Acetylphenylglycine
  • N-Acetyl-2-phenylglycine
  • N-Acetyl-α-phenylglycine
  • 2-Acetamido-2-phenylacetic acid

Work with N-Acetyl-DL-phenylglycine

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

(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid50890-96-562 % similar (-)-N-Acetylphenylalanine10172-89-157 % similar N-Acetyl-L-phenylalanine2018-61-357 % similar N-Acetyl-DL-phenylalanine2901-75-957 % similar (R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid17609-52-853 % similar Benzylmercapturic acid19542-77-951 % similar Diphenylacetic acid117-34-050 % similar Phenylmalonic acid2613-89-050 % 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 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

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