(2R)-2-amino-2-(naphthalen-1-yl)acetic acid

• ChemBase ID: 811929
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: [C@H](C(=O)O)(c1c2ccccc2ccc1)N
• Canonical SMILES: OC(=O)[C@@H](c1cccc2c1cccc2)N
• InChI: InChI=1S/C12H11NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,13H2,(H,14,15)/t11-/m1/s1
• InChIKey: SCDZHZMVNQDLCM-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-(naphthalen-1-yl)acetic acid
• IUPAC Traditional name: (R)-amino(naphthalen-1-yl)acetic acid
• Synonyms: (R)-AMINO-NAPHTHALEN-1-YL-ACETIC ACID

Database IDs

• CAS Number: 100896-07-9

CALCULATED PROPERTIES

• Acid pKa: 2.436656
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.48239762
• LogD (pH = 7.4): -0.49246147
• Log P: -0.4824741
• Molar Refractivity: 56.8115 cm^3
• Polarizability: 23.570751 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%