chempirical

N-(2-Chloroacetyl)phenylalanine

C11H12ClNO3CAS 7765-11-9241.67 g/mol

Open in Covalent MOL file
OHONHOCl
Alkyl halideCarboxylic acid

Properties

Molecular formula
C11H12ClNO3
Molar mass
241.67 g/mol
Exact mass
241.0506 Da
Melting point
128–129 °C
logP
1.88Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
7765-11-9
SMILES
O=C(O)C(Cc1ccccc1)N=C(O)CCl
InChIKey
FUHGSOAURCZWCC-UHFFFAOYSA-N
InChI
InChI=1S/C11H12ClNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

9 names
  • Phenylalanine, N-(2-chloroacetyl)-
  • Alanine, N-(chloroacetyl)-3-phenyl-, DL-
  • DL-Phenylalanine, N-(chloroacetyl)-
  • Phenylalanine, N-(chloroacetyl)-
  • N-Chloroacetyl-DL-phenylalanine
  • NSC 77369
  • 2-[(2-Chloroacetyl)amino]-3-phenylpropanoic acid
  • 2-(2-Chloroacetamido)-3-phenylpropanoic acid
  • 2-(2-Chloro-acetylamino)-3-phenyl-propionic acid

Work with N-(2-Chloroacetyl)phenylalanine

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

N-(2-Chloroacetyl)-L-tyrosine1145-56-878 % similar Glycylphenylalanine3321-03-773 % similar Glycylphenylalanine721-66-473 % similar Benzoyl-L-phenylalanine2566-22-565 % similar N-Benzoyl-dl-phenylalanine2901-76-065 % similar (-)-N-Acetylphenylalanine10172-89-162 % similar N-Acetyl-L-phenylalanine2018-61-362 % similar N-Acetyl-dl-phenylalanine2901-75-962 % similar

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

Same formula

β-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid1141-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook