chempirical

N-(2-Chloroacetyl)-L-leucine

C8H14ClNO3CAS 688-12-0207.65 g/mol

Open in Covalent MOL file
NHOClOHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H14ClNO3
Molar mass
207.65 g/mol
Exact mass
207.0662 Da
Melting point
136 °C
logP
1.68Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
688-12-0
SMILES
CC(C)C[C@H](N=C(O)CCl)C(=O)O
InChIKey
VDUNMYRYEYROFL-LURJTMIESA-N
InChI
InChI=1S/C8H14ClNO3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Leucine, N-(2-chloroacetyl)-
  • Leucine, N-(chloroacetyl)-, L-
  • L-Leucine, N-(chloroacetyl)-
  • Chloroacetyl-L-leucine
  • N-Chloroacetyl-L-leucine
  • N-(Chloroacetyl)leucine
  • NSC 60158
  • (2S)-2-[(2-Chloroacetyl)amino]-4-methylpentanoic acid
  • (2S)-2-(2-Chloroacetamido)-4-methylpentanoic acid

Work with N-(2-Chloroacetyl)-L-leucine

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

Glycylleucine688-14-268 % similar Glycyl-L-leucine869-19-268 % similar N-(2-Chloroacetyl)alanine1190-32-561 % similar N-Acetyl-L-leucine1188-21-259 % similar Acetylleucine99-15-059 % similar N-(2-Chloroacetyl)-L-valine2279-16-558 % similar N-(2-Chloroacetyl)valine4090-17-958 % similar Dl-alanyl-dl-leucine1999-42-454 % similar

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

Same formula

Ethyl 4-piperidone-3-carboxylate hydrochloride4644-61-5

Elsewhere

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