chempirical

(2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride

C11H14ClNO2CAS 90657-53-7227.69 g/mol

Open in Covalent MOL file
HClOHOHN
Carboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
S, 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
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

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

Work with (2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid 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

(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-754 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-654 % similar (4R)-4-Fluoro-L-proline hcl60604-36-651 % similar 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-850 % similar trans-4-Cyclohexyl-L-proline monohydrochloride90657-55-948 % similar 2-Phenylthiazolidine-4-carboxylic acid42607-21-647 % similar cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-846 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-246 % 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

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