CAS 7524-50-7|(S)-2-Amino-3-phenyl-propionic acid methyl ester hydrochloride|methyl (2S)-2-amino-3-phenylpropanoate hydrochloride|methyl L-phenylalaninate hydrochloride|(S)-methyl 2-amino-3-phenylp...

General Information

Structure

Molecular Formula

C₁₀H₁₄ClNO₂

Molecular Mass

215.67666

Exact Mass

215.07130637

Charge

InChI

InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1

InChIKey

SWVMLNPDTIFDDY-FVGYRXGTSA-N

Canonic Smiles

COC(=O)[C@H](Cc1ccccc1)N.Cl

Isomeric Smiles

C(=O)([C@@H](N)Cc1ccccc1)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.24576107

LogD (pH = 7.4)

1.087451

Log P

1.2235091

Molar Refractivity

49.8854

Polarizability

19.982523

Polar Surface Area

52.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl L-phenylalaninate hydrochloride

Synonyms

(S)-2-Amino-3-phenyl-propionic acid methyl ester hydrochloride(S)-methyl 2-amino-3-phenylpropanoate hydrochlorideL-苯丙氨酸甲酯盐酸盐L-Phenylalanine methyl ester hydrochlorideNSC 194642(S)-Phenylalanine Methyl Ester HydrochlorideL-Phenylalanine Methyl Ester HydrochlorideMethyl L-Phenylalaninate HydrochlorideMethyl (S)-Phenylalaninate HydrochlorideL-PHENYLALANINE METHYL ESTERL-苯基丙氨酸甲酯盐酸盐H-Phe-OMe.HCl

IUPAC name

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

EC Number