CAS 114676-59-4|CAS 481704-21-6|CAS 40216-83-9|cis-4-Hydroxy-D-proline methyl ester hydrochloride|Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride|methyl (2R,4R)-4-hydroxypyrrolidine-...

General Information

Structure

Molecular Formula

C₆H₁₂ClNO₃

Molecular Mass

181.61738

Exact Mass

181.05057093

Charge

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

InChIKey

KLGSHNXEUZOKHH-TYSVMGFPSA-N

Canonic Smiles

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

Isomeric Smiles

N1C[C@H](O)C[C@@H]1C(=O)OC.Cl

Calculated Properties

JChem

Acid pKa

14.824049

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3892863

LogD (pH = 7.4)

-1.1908027

Log P

-1.098945

Molar Refractivity

34.1513

Polarizability

14.034403

Polar Surface Area

58.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

cis-4-Hydroxy-D-proline methyl ester hydrochlorideMethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride(2R,4R)-4-Hydroxy-2-(methoxycarbonyl)pyrrolidine hydrochloride(2R,4S)-4-Hydroxy-2-(methoxycarbonyl)pyrrolidine hydrochloridetrans-4-Hydroxy-D-proline methyl ester hydrochloride(2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochlorideMethyl (2R,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride(2R,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride

IUPAC name

methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

IUPAC Traditional name

methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00082536MFCD00135747

CAS Number

114676-59-4481704-21-640216-83-9

PubChem SID

162043028