methyl (2R)-2-amino-3-(4-aminophenyl)propanoate

• ChemBase ID: 811868
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N[C@H](Cc1ccc(cc1)N)C(=O)OC
• Canonical SMILES: COC(=O)[C@@H](Cc1ccc(cc1)N)N
• InChI: InChI=1S/C10H14N2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,11-12H2,1H3/t9-/m1/s1
• InChIKey: VWHHEDIHZWZRTF-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-amino-3-(4-aminophenyl)propanoate
• IUPAC Traditional name: methyl (2R)-2-amino-3-(4-aminophenyl)propanoate
• Synonyms: 4-AMINO-D-PHENYLALANINE METHYL ESTER

Database IDs

• CAS Number: 150570-99-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1618835
• LogD (pH = 7.4): 0.23897897
• Log P: 0.39458317
• Molar Refractivity: 54.5858 cm^3
• Polarizability: 21.12438 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%