1-(2-Chloroacetyl)-L-proline

C7H10ClNO3CAS 23500-10-9191.61 g/mol

Open in Covalent MOL file
OHONOCl
Alkyl halideAmideCarboxylic acid

Properties

Molecular formula
C7H10ClNO3
Molar mass
191.61 g/mol
Exact mass
191.0349 Da
Melting point
112–113 °C
logP
0.30Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
23500-10-9
SMILES
O=C(O)[C@@H]1CCCN1C(=O)CCl
InChIKey
LXDUOIDIFSKLNB-YFKPBYRVSA-N
InChI
InChI=1S/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)/t5-/m0/s1

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Names and synonyms

8 names
  • L-Proline, 1-(2-chloroacetyl)-
  • Proline, 1-(chloroacetyl)-, L-
  • L-Proline, 1-(chloroacetyl)-
  • N-α-Chloroacetyl-L-proline
  • (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxylic acid
  • 1-(2-ChloroacetyL)proline
  • (2S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxylic acid
  • (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carboxylic acid

Work with 1-(2-Chloroacetyl)-L-proline

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-proline704-15-469 % similar (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide214398-99-961 % similar Ac-dl-pro-oh1074-79-958 % similar N-Acetyl-D-proline59785-68-158 % similar N-Acetyl-L-proline68-95-158 % similar (αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-051 % similar Levetiracetam acid103833-72-351 % similar L-Alanyl-L-proline13485-59-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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