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

C₅H₉ClFNO₂CAS 60604-36-6169.58 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₉ClFNO₂
Molar mass: 169.58 g/mol
Exact mass: 169.0306 Da
logP: 0.19Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60604-36-6

SMILES

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

InChIKey

UCWWFZQRLUCRFQ-HJXLNUONSA-N

InChI

InChI=1S/C5H8FNO2.ClH/c6-3-1-4(5(8)9)7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H/t3-,4+;/m1./s1

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Names and synonyms

1 names

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

Work with (4R)-4-Fluoro-L-proline hcl

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-proline2507-61-1Free base (2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid2438-57-5Free base, diastereomer (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-8Free base, enantiomer

Similar compounds

(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-764 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-664 % similar trans-4-Cyclohexyl-L-proline monohydrochloride90657-55-955 % similar cis-4-Hydroxy-D-proline2584-71-655 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid3398-22-955 % similar Hydroxyproline51-35-455 % similar cis-4-Hydroxy-L-proline618-27-955 % similar (2S,4S)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride90657-53-751 % similar

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

Elsewhere

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