CAS 83435-58-9|CAS 69610-40-8|(2S)-(+)-2-(Hydroxymethyl)pyrrolidine, N-BOC protected|(2S)-(+)-1-(tert-Butoxycarbonyl)-2-(hydroxymethyl)pyrrolidine|tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carb...

基本信息

化学结构

分子式

C₁₀H₁₉NO₃

分子量

201.26276

精确质量

201.13649347

电荷

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1

InChIKey

BFFLLBPMZCIGRM-MRVPVSSYSA-N

Canonic Smiles

OC[C@H]1CCCN1C(=O)OC(C)(C)C

Isomeric Smiles

N1([C@H](CCC1)CO)C(=O)OC(C)(C)C

计算属性

JChem

Acid pKa

15.09024

质子受体

质子供体

LogD (pH = 5.5)

0.86577713

LogD (pH = 7.4)

0.8657771

Log P

0.86577713

摩尔折射率

53.192

极化性

20.97339

极化表面积

49.77

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

别名

tert-Butyl (2S)-(+)-2-(hydroxymethyl)pyrrolidine-1-carboxylate(2S)-(+)-1-(tert-Butoxycarbonyl)-2-(hydroxymethyl)pyrrolidine(2S)-(+)-2-(Hydroxymethyl)pyrrolidine, N-BOC protected(R)-tert-Butyl 2-(hydroxymethyl)-pyrrolidine-1-carboxylateBoc-D-脯氨醇N-t-Boc-D-prolinolBoc-D-Prolinol(R)-(+)-1-Boc-2-pyrrolidinemethanolN-Boc-D-脯氨醇(R)-(+)-1-(tert-Butoxycarbonyl)-2-pyrrolidinemethanol(R)-(+)-1-(叔丁氧羰基)-2-吡咯烷甲醇N-叔丁氧羰基-D-脯氨醇N-Boc-D-prolinol(R)-1-Boc-2-pyrrolidinemethanolN-Boc-D-prolinol(R)-1-叔丁氧羰基-2-吡咯烷甲醇

IUPAC传统名

tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

IUPAC标准名

tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

名称和标识

数据登录号

CAS号

83435-58-969610-40-8

MDL号

MFCD00040580MFCD00066232

PubChem SID

2484949724870602162035199