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

C5H8FNO2CAS 131176-02-8133.12 g/mol

Open in Covalent MOL file
HNOHOF
Alkyl halideCarboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
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
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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(4R)-4-Fluoro-L-proline2507-61-1Enantiomer (2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid2438-57-5Diastereomer (4R)-4-Fluoro-L-proline hcl60604-36-6Salt, enantiomer

Similar compounds

cis-4-Hydroxy-D-proline2584-71-660 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid3398-22-960 % similar Hydroxyproline51-35-460 % similar cis-4-Hydroxy-L-proline618-27-960 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-755 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-655 % similar (4S)-4-Cyclohexyl-L-proline103201-78-151 % similar (4R)-4-(1,1-Dimethylethoxy)-L-proline79775-07-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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