CAS 85908-96-9|tert-Butyl 2-oxopiperidine-1-carboxylate|tert-butyl 2-oxopiperidine-1-carboxylate|tert-butyl 2-oxopiperidine-1-carboxylate|tert-Butyl 2-oxopiperidine-1-carboxylate|Piperidin-2-one, N-...

基本信息

化学结构

分子式

C₁₀H₁₇NO₃

分子量

199.24688

精确质量

199.12084341

电荷

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3

InChIKey

ULMHMJAEGZPQRY-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCCN1C(=O)OC(C)(C)C

Isomeric Smiles

C1CCCN(C1=O)C(=O)OC(C)(C)C

计算属性

JChem

LogD (pH = 7.4)

1.53

LogD (pH = 5.5)

1.53

Log P

1.53

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

-8.12

极化表面积

46.61

极化性

21.50

摩尔折射率

51.85

LOG S

-1.66

数据来源

名称和标识

别名

tert-Butyl 2-oxopiperidine-1-carboxylatetert-Butyl 2-oxopiperidine-1-carboxylatePiperidin-2-one, N-BOC protected1-(tert-Butoxycarbonyl)-2-oxopiperidine2-Oxo-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester1,1-Dimethylethyl 2-Oxopiperidine-1-carboxylate2-Oxopiperidine-1-carboxylic Acid tert-Butyl EsterN-tert-Butoxycarbonyl-2-piperidinonetert-Butyl 2-oxo-1-piperidinecarboxylate1-(tert-Butoxycarbonyl)-2-piperidone1-Boc-2-piperidone1-Boc-2-哌啶酮N-Boc-2-Piperidone1-N-Boc-2-piperidone2-oxopiperidine-1-carboxylic acid tert-butyl esterN-tert-butoxycarbonyl-delta-valerolactamN-(tert-butoxycarbonyl)piperidin-2-one1-(tert-butoxycarbonyl)-1-azacyclohexan-2-one

IUPAC标准名

tert-butyl 2-oxopiperidine-1-carboxylate

IUPAC传统名

tert-butyl 2-oxopiperidine-1-carboxylate

名称和标识

数据登录号

CAS号

85908-96-9

MDL号

MFCD02179046

Beilstein号

4674955