benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate|benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate|Benzyl N-[(1R,3S)-3-(hydroxymethyl)-cyclopentyl]carbamate|(1R,3S)-1-Amino-3-(hydroxy...

基本信息

化学结构

分子式

C₁₄H₁₉NO₃

分子量

249.30556

精确质量

249.13649347

电荷

InChI

InChI=1S/C14H19NO3/c16-9-12-6-7-13(8-12)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m0/s1

InChIKey

FDKXYQLCKKQFKQ-QWHCGFSZSA-N

Canonic Smiles

OC[C@H]1CC[C@H](C1)NC(=O)OCc1ccccc1

Isomeric Smiles

C(=O)(N[C@H]1C[C@H](CC1)CO)OCc1ccccc1

计算属性

JChem

Acid pKa

14.912788

质子受体

质子供体

LogD (pH = 5.5)

1.8201481

LogD (pH = 7.4)

1.8201481

Log P

1.8201481

摩尔折射率

68.4123

极化性

26.851816

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

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

别名

Benzyl N-[(1R,3S)-3-(hydroxymethyl)-cyclopentyl]carbamate(1R,3S)-1-Amino-3-(hydroxymethyl)cyclopentane, N-CBZ protected[(1S,3R)-3-{[(Benzyloxy)carbonyl]amino}cyclopent-1-yl]methanolBenzyl [(1R,3S)-3-(hydroxymethyl)cyclopent-1-yl]carbamatebenzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

IUPAC标准名

benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate

名称和标识

数据登录号

PubChem SID

162031692

PubChem CID

66545223

MDL号

MFCD22126135

数据登录号

化合物性质