(2R)-2-amino-2-(4-hydroxyphenyl)acetamide

• ChemBase ID: 124750
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)([C@@H](c1ccc(cc1)O)N)N
• Canonical SMILES: N[C@H](c1ccc(cc1)O)C(=O)N
• InChI: InChI=1S/C8H10N2O2/c9-7(8(10)12)5-1-3-6(11)4-2-5/h1-4,7,11H,9H2,(H2,10,12)/t7-/m1/s1
• InChIKey: WQFROZWIRZWMFE-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-(4-hydroxyphenyl)acetamide
• IUPAC Traditional name: (2R)-2-amino-2-(4-hydroxyphenyl)acetamide
• Synonyms: (R)-2-amino-2-(4-hydroxyphenyl)acetamide

Database IDs

• PubChem SID: 162219103
• PubChem CID: 9815310

CALCULATED PROPERTIES

• Acid pKa: 9.48655
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.5002885
• LogD (pH = 7.4): -0.8286258
• Log P: -0.46868768
• Molar Refractivity: 44.1644 cm^3
• Polarizability: 17.352345 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds