(2S)-2-amino-2-phenylacetamide

• ChemBase ID: 797607
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)([C@H](c1ccccc1)N)N
• Canonical SMILES: N[C@@H](c1ccccc1)C(=O)N
• InChI: InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/m0/s1
• InChIKey: KIYRSYYOVDHSPG-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-2-phenylacetamide
• IUPAC Traditional name: (2S)-2-amino-2-phenylacetamide
• Synonyms: (2S)-2-AMino-2-phenylethanaMide

Database IDs

• CAS Number: 6485-52-5

CALCULATED PROPERTIES

• Acid pKa: 16.122173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2010598
• LogD (pH = 7.4): -0.5249433
• Log P: -0.017988766
• Molar Refractivity: 42.1835 cm^3
• Polarizability: 16.739655 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%