(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride

C₆H₁₂ClNO₃CAS 114676-59-4181.62 g/mol

Open in Covalent MOL file

Alcohol Ester Halogen Secondary Amine

Properties

Molecular formula: C₆H₁₂ClNO₃
Molar mass: 181.62 g/mol
Exact mass: 181.0506 Da
Melting point: 102–104 °C
logP: -0.70Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

114676-59-4

SMILES

COC(=O)[C@H]1C[C@@H](O)CN1.Cl

InChIKey

KLGSHNXEUZOKHH-TYSVMGFPSA-N

InChI

InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5-;/m1./s1

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Names and synonyms

6 names

D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
D-Proline, 4-hydroxy-, methyl ester, hydrochloride, cis-
D-Proline, 4-hydroxy-, methyl ester, hydrochloride, (4R)-
4-(R)-Hydroxypyrrolidine-2-(R)-carboxylic acid methyl ester hydrochloride
Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
(2R,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride

Work with (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester 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

Same formula

4-Hydroxy-L-proline methyl ester hydrochloride40216-83-9 Methyl 5-aminolevulinate hydrochloride79416-27-6

Elsewhere

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