chempirical

N-(2-Chloroacetyl)-L-tryptophan

C13H13ClN2O3CAS 64709-57-5280.71 g/mol

Open in Covalent MOL file
OOHNHNHOCl
Alkyl halideCarboxylic acid

Properties

Molecular formula
C13H13ClN2O3
Molar mass
280.71 g/mol
Exact mass
280.0615 Da
Melting point
159 °C
logP
2.36Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
64709-57-5
SMILES
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CCl
InChIKey
PGTJUXHMJYBSBW-NSHDSACASA-N
InChI
InChI=1S/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)/t11-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • L-Tryptophan, N-(2-chloroacetyl)-
  • L-Tryptophan, N-(chloroacetyl)-
  • Tryptophan, N-(chloroacetyl)-
  • N-Chloroacetyl-L-tryptophan
  • NSC 523827

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

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

Glycyl-L-tryptophan2390-74-176 % similar Acetyl-L-tryptophan1218-34-469 % similar N-Acetyl-D-tryptophan2280-01-569 % similar N-Acetyl-dl-tryptophan87-32-169 % similar L-Alanyl-L-tryptophan16305-75-263 % similar N-(Benzyloxycarbonyl)-dl-tryptophan13058-16-761 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-561 % similar N-(Benzyloxycarbonyl)-D-tryptophan2279-15-461 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook