CAS 40216-83-9|methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride|methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride|Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydro...

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-JBUOLDKXSA-N

Canonic Smiles

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

Isomeric Smiles

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

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochlorideMethyl (2S,4R)-4-Hydroxy-2-pyrrolidinecarboxylate Hydrochloridetrans-4-Hydroxy-L-proline methyl ester hydrochloride2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate Hydrochloridetrans-4-Hydroxy-L-proline Methyl Ester HydrochlorideMethyl trans-4-Hydroxy-L-prolinate Hydrochloridetrans-4-Hydroxyproline Methyl Ester HydrochlorideMethyl L-Hydroxyprolinate HydrochlorideL-Hydroxyproline Methyl Ester HydrochlorideL-4-Hydroxyproline methyl ester hydrochlorideL-4-羟脯氨酸甲酯盐酸盐trans-4-Hydroxy-L-proline methyl ester hydrochloride(2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride反-4-羟基-L-脯氨酸甲酯盐酸盐

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

PubChem CID

PubChem SID