chempirical

Phenylacetylglutamine

C13H16N2O4CAS 28047-15-6264.28 g/mol

Open in Covalent MOL file
NH2ONHOOHO
Carboxylic acid

Properties

Molecular formula
C13H16N2O4
Molar mass
264.28 g/mol
Exact mass
264.1110 Da
Melting point
100 °C
logP
1.95Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
28047-15-6
SMILES
N=C(O)CC[C@H](N=C(O)Cc1ccccc1)C(=O)O
InChIKey
JFLIEFSWGNOPJJ-JTQLQIEISA-N
InChI
InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1

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

Names and synonyms

11 names
  • L-Glutamine, N2-(2-phenylacetyl)-
  • Glutamine, N2-(phenylacetyl)-, L-
  • L-Glutamine, N2-(phenylacetyl)-
  • N2-(2-Phenylacetyl)-L-glutamine
  • Phenylacetyl-L-glutamine
  • N-Phenylacetylglutamine
  • N2-(Phenylacetyl)-L-glutamine
  • NSC 203800
  • (S)-5-Amino-5-oxo-2-(2-phenylacetamido)pentanoicacid
  • (S)-5-Amino-5-oxo-2-(2-phenylacetamido)pentanoic acid
  • (2S)-4-Carbamoyl-2-(2-phenylacetamido)butanoic acid

Work with Phenylacetylglutamine

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

N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-866 % similar Glycyl-L-glutamine13115-71-464 % similar Aceglutamide2490-97-353 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-glutamine112898-00-753 % similar N2-(9-Fluorenylmethoxycarbonyl)-L-glutamine71989-20-353 % similar Glycylphenylalanine3321-03-751 % similar Glycylphenylalanine721-66-451 % similar Pyroglutamic acid149-87-150 % similar

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

Elsewhere

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