2-amino-2-(pyridin-2-yl)acetic acid

• ChemBase ID: 812353
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: C(C(=O)O)(c1ncccc1)N
• Canonical SMILES: OC(=O)C(c1ccccn1)N
• InChI: InChI=1S/C7H8N2O2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,8H2,(H,10,11)
• InChIKey: JTOBAFRWEGCWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(pyridin-2-yl)acetic acid
• IUPAC Traditional name: amino(pyridin-2-yl)acetic acid
• Synonyms: AMINO-PYRIDIN-2-YL-ACETIC ACID

Database IDs

• CAS Number: 62451-88-1

CALCULATED PROPERTIES

• Acid pKa: 1.1935
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3045018
• LogD (pH = 7.4): -2.407831
• Log P: -2.3046994
• Molar Refractivity: 37.8324 cm^3
• Polarizability: 15.171607 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%