chempirical

N-(2-Chloroacetyl)alanine

C5H8ClNO3CAS 1190-32-5165.57 g/mol

Open in Covalent MOL file
NHOClOHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H8ClNO3
Molar mass
165.57 g/mol
Exact mass
165.0193 Da
Melting point
126–127 °C
logP
0.65Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
1190-32-5
SMILES
CC(N=C(O)CCl)C(=O)O
InChIKey
HTAQFYLADZNZHZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8ClNO3/c1-3(5(9)10)7-4(8)2-6/h3H,2H2,1H3,(H,7,8)(H,9,10)

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

Names and synonyms

6 names
  • Alanine, N-(2-chloroacetyl)-
  • Alanine, N-(chloroacetyl)-, DL-
  • Alanine, N-(chloroacetyl)-
  • N-Chloroacetyl-DL-alanine
  • 2-(2-Chloroacetamido)propanoic acid
  • 2-[(2-Chloroacetyl)amino]propanoic acid

Work with N-(2-Chloroacetyl)alanine

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-valine2279-16-565 % similar N-(2-Chloroacetyl)valine4090-17-965 % similar Glycyl-L-alanine3695-73-664 % similar Glycylalanine926-77-264 % similar N-(2-Chloroacetyl)-L-leucine688-12-061 % similar 2-Chloro-N-(1-methylethyl)acetamide2895-21-855 % similar N-Acetylalanine1115-69-152 % similar N-Acetyl-D-alanine19436-52-352 % similar

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

Elsewhere

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