(S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide

C₇H₁₁ClN₂O₂CAS 214398-99-9190.63 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₇H₁₁ClN₂O₂
Molar mass: 190.63 g/mol
Exact mass: 190.0509 Da
logP: -0.30Crippen estimate
Polar surface area: 63.4 Å²
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. Search the SDS library

Identifiers

CAS number

214398-99-9

SMILES

C1C[C@H](N(C1)C(=O)CCl)C(=O)N

InChIKey

YKDRUBGIBPCRBH-YFKPBYRVSA-N

InChI

InChI=1S/C7H11ClN2O2/c8-4-6(11)10-3-1-2-5(10)7(9)12/h5H,1-4H2,(H2,9,12)/t5-/m0/s1

Weigh it out

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

Work with (S)-1-(2-Chloroacetyl)pyrrolidine-2-carboxamide

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

1-(2-Chloroacetyl)-L-proline23500-10-961 % similar N-Acetylprolinamide16395-58-758 % similar D-1-N-Boc-prolinamide70138-72-650 % similar (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile207557-35-549 % similar tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-545 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-045 % similar (S)-1-N-Cbz-prolinamide34079-31-745 % similar Glycyl-L-proline704-15-444 % similar

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

Same formula

3-Amino-2-ethoxycarbonylpyrrole hydrochloride252932-49-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook