chempirical

trans-4-Cyclohexyl-L-proline hydrochloride

C11H20ClNO2CAS 90657-55-9233.74 g/mol

Open in Covalent MOL file
HClOHOHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C11H20ClNO2
Molar mass
233.74 g/mol
Exact mass
233.1183 Da
Melting point
172–174 °C
logP
2.05Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
90657-55-9
SMILES
Cl.O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1
InChIKey
BHGFUQJUTOVQOS-UXQCFNEQSA-N
InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1

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

Names and synonyms

3 names
  • L-Proline, 4-cyclohexyl-, hydrochloride (1:1), (4S)-
  • L-Proline, 4-cyclohexyl-, hydrochloride, trans-
  • L-Proline, 4-cyclohexyl-, hydrochloride, (4S)-

Work with trans-4-Cyclohexyl-L-proline hydrochloride

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

(4S)-4-Cyclohexyl-L-proline103201-78-190 % similar (2S,3As,7as)-octahydroindole-2-carboxylic acid80875-98-553 % similar cis-4-Hydroxy-D-proline2584-71-650 % similar Hydroxyproline51-35-450 % similar cis-4-Hydroxy-L-proline618-27-950 % similar L-Proline, 4-phenyl-, hydrochloride (1:1), (4S)-90657-53-748 % similar (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-847 % similar (4R)-4-Fluoro-L-proline2507-61-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook