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...

General Information

Structure

Molecular Formula

C₁₀H₁₃NO₂

Molecular Mass

179.21572

Exact Mass

179.09462866

Charge

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

Calculated Properties

JChem

Acid pKa

2.5040956

H Acceptors

H Donor

LogD (pH = 5.5)

-0.75212145

LogD (pH = 7.4)

-0.75383484

Log P

-0.75192994

Molar Refractivity

49.8296

Polarizability

19.727808

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

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

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

1132-26-917350-84-423239-35-2

Beilstein Number

525415146689902803960

MDL Number

MFCD00153491MFCD00145244MFCD00010512

PubChem SID

24857247162091526