(2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride

C₅H₁₀ClNO₃CAS 142347-81-7167.59 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₁₀ClNO₃
Molar mass: 167.59 g/mol
Exact mass: 167.0349 Da
logP: -0.78Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

142347-81-7

SMILES

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

InChIKey

YEJFFQAGTXBSTI-RFKZQXLXSA-N

InChI

InChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4+;/m0./s1

Weigh it out

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

Names and synonyms

1 names

trans-4-Hydroxy-D-proline hydrochloride

Work with (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride

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.

Hydroxyproline51-35-4Free base, enantiomer cis-4-Hydroxy-L-proline618-27-9Free base, diastereomer cis-4-Hydroxy-D-proline2584-71-6Free base, diastereomer (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid3398-22-9Free base (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-6Diastereomer

Similar compounds

(4R)-4-Fluoro-L-proline hcl60604-36-664 % similar trans-4-Cyclohexyl-L-proline monohydrochloride90657-55-958 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-456 % similar cis-4-Hydroxy-L-proline methyl ester hydrochloride40126-30-556 % similar 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-956 % similar (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-855 % similar (2S,4S)-4-Fluoro-pyrrolidine-2-carboxylic acid2438-57-555 % similar (4R)-4-Fluoro-L-proline2507-61-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aminolevulinic acid hydrochloride5451-09-2

Elsewhere

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