L-Proline, 4-phenyl-, hydrochloride (1:1), (4S)-

C₁₁H₁₄ClNO₂CAS 90657-53-7227.69 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₁H₁₄ClNO₂
Molar mass: 227.69 g/mol
Exact mass: 227.0713 Da
logP: 1.64Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

90657-53-7

SMILES

Cl.O=C(O)[C@@H]1C[C@@H](c2ccccc2)CN1

InChIKey

LWFBRHSTNWMMGN-UXQCFNEQSA-N

InChI

InChI=1S/C11H13NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10+;/m1./s1

Weigh it out

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

Names and synonyms

2 names

L-Proline, 4-phenyl-, hydrochloride, trans-
L-Proline, 4-phenyl-, hydrochloride, (4S)-

Work with L-Proline, 4-phenyl-, hydrochloride (1:1), (4S)-

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

1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-850 % similar trans-4-Cyclohexyl-L-proline hydrochloride90657-55-948 % similar 2-Phenylthiazolidine-4-carboxylic acid42607-21-647 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-246 % similar cis-4-Hydroxy-D-proline2584-71-646 % similar Hydroxyproline51-35-446 % similar cis-4-Hydroxy-L-proline618-27-946 % similar Diphenylacetic acid117-34-045 % similar

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

Same formula

3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride20232-39-7 Methyl 1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride57060-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook