(2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid

C₅H₈FNO₂CAS 131176-02-8133.12 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₈FNO₂
Molar mass: 133.12 g/mol
Exact mass: 133.0539 Da
logP: -0.23Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

131176-02-8

SMILES

C1[C@@H](CN[C@H]1C(=O)O)F

InChIKey

ZIWHMENIDGOELV-IUYQGCFVSA-N

InChI

InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m0/s1

Weigh it out

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

Work with (2R,4S)-4-Fluoropyrrolidine-2-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-4-Hydroxy-D-proline2584-71-660 % similar Hydroxyproline51-35-460 % similar cis-4-Hydroxy-L-proline618-27-960 % similar (4S)-4-Cyclohexyl-L-proline103201-78-151 % similar (4R)-4-(1,1-Dimethylethoxy)-L-proline79775-07-847 % similar trans-4-Cyclohexyl-L-proline hydrochloride90657-55-947 % similar (S)-Piperazine-2-carboxylic acid147650-70-245 % similar Azetidine-2-carboxylic acid2133-34-845 % similar

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

Same formula

(4R)-4-Fluoro-L-proline2507-61-1

Elsewhere

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