CAS 6230-11-1|CAS 7635-29-2|(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid|4-甲氧基-L-苯丙氨酸|O-甲基-L-酪氨酸|β-(4-Methoxyphenyl)-L-alanine|O-Methyltyrosine|L-3-(p-Methoxyphenyl)alanine|L-4-Methox...

General Information

Structure

Molecular Formula

C₁₀H₁₃NO₃

Molecular Mass

195.21512

Exact Mass

195.08954328

Charge

InChI

InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChIKey

GEYBMYRBIABFTA-VIFPVBQESA-N

Canonic Smiles

COc1ccc(cc1)C[C@@H](C(=O)O)N

Isomeric Smiles

C(=O)([C@H](Cc1ccc(cc1)OC)N)O

Calculated Properties

JChem

Acid pKa

2.0860968

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3425161

LogD (pH = 7.4)

-1.3458074

Log P

-1.342516

Molar Refractivity

51.5795

Polarizability

20.416908

Polar Surface Area

72.55

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid rac-(2R)-2-amino-3-(4-methoxyphenyl)propanoic acid

Synonyms

4-甲氧基-L-苯丙氨酸O-MethyltyrosineL-3-(p-Methoxyphenyl)alanineO-甲基-L-酪氨酸L-Tyrosine Methyl EtherL-4-Methoxyphenylalanineβ-(4-Methoxyphenyl)-L-alanine(S)-2-amino-3-(4-methoxyphenyl)propanoic acidO-Methyl-L-tyrosine4-Methoxy-L-phenylalanineL-O-Methyltyrosinep-Methoxy-L-phenylalanineO-Methyl-L-tyrosineNSC 300824-METHOXY-DL-PHENYLALANINE

IUPAC name

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid rac-(2R)-2-amino-3-(4-methoxyphenyl)propanoic acid

Names and Identifiers

Registration numbers

PubChem CID

2723935

PubChem SID

1621081902488595024849727

Beilstein Number

2212726

EC Number

228-333-9