(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

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

Similar compounds

cis-4-Hydroxy-D-proline2584-71-688 % similar Hydroxyproline51-35-488 % similar cis-4-Hydroxy-L-proline618-27-988 % similar trans-4-Cyclohexyl-L-proline hydrochloride90657-55-958 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-456 % similar 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-956 % similar (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid131176-02-855 % 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

PubChem CAS Common Chemistry NIST WebBook