CAS 149597-92-2|CAS 149597-91-1|(2S)-2-amino-3,3-diphenylpropanoic acid|(2S)-2-amino-3,3-diphenylpropanoic acid|3,3-Diphenyl-D-alanine|3,3-Diphenyl-L-alanine|3,3-二苯基-L-丙氨酸|H-3,3-Bip-OH|(S)-3-(...

General Information

Structure

Molecular Formula

C₁₅H₁₅NO₂

Molecular Mass

241.2851

Exact Mass

241.11027873

Charge

InChI

InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1

InChIKey

PECGVEGMRUZOML-AWEZNQCLSA-N

Canonic Smiles

N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)O

Isomeric Smiles

N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1

Calculated Properties

JChem

Acid pKa

2.4440005

H Acceptors

H Donor

LogD (pH = 5.5)

0.3142418

LogD (pH = 7.4)

0.31057325

Log P

0.3143482

Molar Refractivity

69.6829

Polarizability

27.488144

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2S)-2-amino-3,3-diphenylpropanoic acid

IUPAC Traditional name

(2S)-2-amino-3,3-diphenylpropanoic acid

Synonyms

3,3-Diphenyl-D-alanine3,3-Diphenyl-L-alanine3,3-二苯基-L-丙氨酸H-3,3-Bip-OH(S)-3-(3-Chlorophenyl)-3,3-diphenylpropionic acidβ-Phenyl-L-phenylalanine(S)-2-氨基-3,3-二苯基丙酸L-3,3-二苯基丙氨酸β-苯基-L-苯丙氨酸(S)-2-Amino-3,3-diphenylpropionic acid(S)-2-Amino-3,3-diphenylpropanoic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD01631989MFCD01631990

CAS Number

149597-92-2149597-91-1

PubChem CID

162977

PubChem SID

16204226124888843

Registration numbers

Properties