chempirical

(3R)-3-Phenyl-L-proline

C11H13NO2CAS 118758-48-8191.23 g/mol

Open in Covalent MOL file
OOHHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Melting point
284–285 °C
logP
1.22Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
S, Rin 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
118758-48-8
SMILES
O=C(O)[C@H]1NCC[C@@H]1c1ccccc1
InChIKey
VDEMEKSASUGYHM-ZJUUUORDSA-N
InChI
InChI=1S/C11H13NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • L-Proline, 3-phenyl-, (3R)-
  • L-Proline, 3-phenyl-, trans-
  • (3R)-Phenylpyrrolidine-(2S)-carboxylic acid
  • (2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid

Work with (3R)-3-Phenyl-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

Similar compounds

cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-854 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-254 % similar (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid652971-46-553 % similar α-Phenyl-2-piperidineacetic acid19395-41-651 % similar trans-3-Hydroxy-L-proline4298-08-249 % similar Diphenylacetic acid117-34-049 % similar Phenylmalonic acid2613-89-049 % similar 2-Cyclopentyl-2-phenylacetic acid3900-93-448 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9 2-Amino-5-phenyl-(2s)-4-pentenoic acid267650-37-3

Elsewhere

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