(2R)-2-amino-2-phenylacetic acid

• ChemBase ID: 815770
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: N[C@@H](C(=O)O)c1ccccc1
• Canonical SMILES: N[C@H](c1ccccc1)C(=O)O
• InChI: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
• InChIKey: ZGUNAGUHMKGQNY-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenylacetic acid
• IUPAC Traditional name: D-α-phenylglycine
• Synonyms: D-2-PHENYLGLYCINE

Database IDs

• CAS Number: 875-74-1

CALCULATED PROPERTIES

• Acid pKa: 2.2288363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4721358
• LogD (pH = 7.4): -1.4860865
• Log P: -1.4724004
• Molar Refractivity: 40.3613 cm^3
• Polarizability: 16.044256 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%