1-(2-Chloroacetyl)-L-proline

C₇H₁₀ClNO₃CAS 23500-10-9191.61 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

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

Weigh it out

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

Names and synonyms

7 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

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

Elsewhere

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