chempirical

(4R)-4-Fluoro-L-proline

C5H8FNO2CAS 2507-61-1133.12 g/mol

Open in Covalent MOL file
OHOFHN
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. Search the SDS library

Identifiers

CAS number
2507-61-1
SMILES
O=C(O)[C@@H]1C[C@@H](F)CN1
InChIKey
ZIWHMENIDGOELV-DMTCNVIQSA-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+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Proline, 4-fluoro-, (4R)-
  • Proline, 4-fluoro-, L-trans-
  • L-Proline, 4-fluoro-, trans-
  • trans-4-Fluoro-L-proline
  • trans-4-Fluoroproline
  • (2S,4R)-4-Fluoropyrrolidine-2-carboxylic acid
  • L-trans-4-Fluoroproline

Work with (4R)-4-Fluoro-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

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.

(2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-8Enantiomer (2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid2438-57-5Diastereomer (4R)-4-Fluoro-L-proline hcl60604-36-6Salt

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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