2-{[(1R)-1-phenylethyl]amino}acetamide

• ChemBase ID: 237678
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(CN[C@@H](c1ccccc1)C)N
• Canonical SMILES: C[C@H](c1ccccc1)NCC(=O)N
• InChI: InChI=1S/C10H14N2O/c1-8(12-7-10(11)13)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H2,11,13)/t8-/m1/s1
• InChIKey: WDZWHHQRUDMNPR-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1R)-1-phenylethyl]amino}acetamide
• IUPAC Traditional name: 2-{[(1R)-1-phenylethyl]amino}acetamide
• Synonyms: 2-{[(1R)-1-phenylethyl]amino}acetamide

Database IDs

• MDL Number: MFCD18903718
• PubChem SID: 164293588
• PubChem CID: 25110859

CALCULATED PROPERTIES

• Acid pKa: 16.421782
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0517375
• LogD (pH = 7.4): -0.33544368
• Log P: 0.61921036
• Molar Refractivity: 51.6316 cm^3
• Polarizability: 20.427958 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.66

Product Information

• Purity: 95%