(2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid

C₅H₈FNO₂CAS 2438-57-5133.12 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, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2438-57-5

SMILES

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

InChIKey

ZIWHMENIDGOELV-IMJSIDKUSA-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.

Names and synonyms

1 names

L-Proline, 4-fluoro-, cis-

Work with (2S,4S)-4-Fluoro-pyrrolidine-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-proline2507-61-1Diastereomer (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-8Diastereomer (4R)-4-Fluoro-L-proline hcl60604-36-6Salt, diastereomer

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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