2-amino-2-(2-hydroxyphenyl)acetic acid

• ChemBase ID: 294174
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: O=C(O)C(N)c1ccccc1O
• Canonical SMILES: OC(=O)C(c1ccccc1O)N
• InChI: InChI=1S/C8H9NO3/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7,10H,9H2,(H,11,12)
• InChIKey: LIDYFNYBHXPTJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(2-hydroxyphenyl)acetic acid
• IUPAC Traditional name: amino(2-hydroxyphenyl)acetic acid
• Synonyms: 2-Amino-2-(2-hydroxyphenyl)acetic acid

Database IDs

• CAS Number: 25178-38-5
• PubChem SID: 180679705
• PubChem CID: 10125097

CALCULATED PROPERTIES

• Acid pKa: 1.7549218
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.7777874
• LogD (pH = 7.4): -1.8311402
• Log P: -1.7774333
• Molar Refractivity: 42.3422 cm^3
• Polarizability: 16.677126 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%