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...

基本信息

化学结构

分子式

C₆H₁₂ClNO₃

分子量

181.61738

精确质量

181.05057093

电荷

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

计算属性

JChem

Acid pKa

14.824049

质子受体

质子供体

LogD (pH = 5.5)

-2.3892863

LogD (pH = 7.4)

-1.1908027

Log P

-1.098945

摩尔折射率

34.1513

极化性

14.034403

极化表面积

58.56

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

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

别名

Methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloridetrans-4-Hydroxy-L-proline Methyl Ester Hydrochloridetrans-4-Hydroxy-L-proline methyl ester hydrochlorideMethyl (2S,4R)-4-Hydroxy-2-pyrrolidinecarboxylate Hydrochloride2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate HydrochlorideMethyl trans-4-Hydroxy-L-prolinate Hydrochloridetrans-4-Hydroxyproline Methyl Ester HydrochlorideL-Hydroxyproline Methyl Ester HydrochlorideMethyl L-Hydroxyprolinate 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

IUPAC传统名

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

名称和标识

数据登录号

CAS号

MDL号

Beilstein号

PubChem CID