CAS 1132-26-9|CAS 17350-84-4|CAS 23239-35-2|2-amino-2-methyl-3-phenylpropanoic acid|α-METHYL-DL-PHENYLALANINE|2-amino-2-methyl-3-phenylpropanoic acid|α-Methyl-L-phenylalanine|(2S)-2-amino-2-m...

基本信息

化学结构

分子式

C₁₀H₁₃NO₂

分子量

179.21572

精确质量

179.09462866

电荷

InChI

InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)

InChIKey

HYOWVAAEQCNGLE-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(Cc1ccccc1)(N)C

Isomeric Smiles

CC(N)(Cc1ccccc1)C(=O)O

计算属性

JChem

Acid pKa

2.5040956

质子受体

质子供体

LogD (pH = 5.5)

-0.75212145

LogD (pH = 7.4)

-0.75383484

Log P

-0.75192994

摩尔折射率

49.8296

极化性

19.727808

极化表面积

63.32

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传统名

2-amino-2-methyl-3-phenylpropanoic acid (2S)-2-amino-2-methyl-3-phenylpropanoic acid (2R)-2-amino-2-methyl-3-phenylpropanoic acid

别名

α-METHYL-DL-PHENYLALANINE(S)-(-)-2-Amino-2-methyl-3-phenylpropionic acid(S)-(-)-2-氨基-2-甲基-3-苯基丙酸α-Methyl-L-phenylalanine(R)-(+)-2-Amino-2-methyl-3-phenylpropionic acidα-甲基-L-苯丙氨酸α-甲基-D-苯丙氨酸(±)-2-Amino-2-methyl-3-phenylpropionic acidα-Me-D-Phe-OH(±)-2-氨基-2-甲基-3-苯基丙酸(R)-(+)-2-氨基-2-甲基-3-苯基丙酸α-Methyl-DL-phenylalanineα-甲基-DL-苯丙氨酸α-Me-Phe-OHα-Methyl-D-phenylalaninealpha-Methyl-DL-phenylalanine

IUPAC标准名

2-amino-2-methyl-3-phenylpropanoic acid (2S)-2-amino-2-methyl-3-phenylpropanoic acid (2R)-2-amino-2-methyl-3-phenylpropanoic acid

名称和标识