(3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid

C11H13NO2CAS 652971-46-5191.23 g/mol

Open in Covalent MOL file
HNOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
logP
1.07Crippen 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.

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Identifiers

CAS number
652971-46-5
SMILES
C1[C@@H]([C@H](CN1)C(=O)O)C2=CC=CC=C2
InChIKey
XTJDGOQYFKHEJR-ZJUUUORDSA-N
InChI
InChI=1S/C11H13NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10+/m1/s1

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Work with (3R,4S)-4-Phenylpyrrolidine-3-carboxylic acid

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 acid48126-51-865 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-265 % similar (3S,4R)-4-(3-Methoxyphenyl)pyrrolidine-3-carboxylic acid937692-64-363 % similar (3S,4S)-4-(Furan-2-yl)pyrrolidine-3-carboxylic acid959579-57-862 % similar Diphenylacetic acid117-34-050 % similar Phenylmalonic acid2613-89-050 % similar Tropic acid529-64-647 % similar ((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol848307-24-447 % 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 (3R)-3-Phenyl-L-proline118758-48-8 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

Elsewhere

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