(2R)-2-amino-N-benzyl-3-methoxypropanamide

• ChemBase ID: 52922
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: [C@H](C(=O)NCc1ccccc1)(COC)N
• Canonical SMILES: COC[C@H](C(=O)NCc1ccccc1)N
• InChI: InChI=1S/C11H16N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m1/s1
• InChIKey: WPLANNRKFDHEKD-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-benzyl-3-methoxypropanamide
• IUPAC Traditional name: (2R)-2-amino-N-benzyl-3-methoxypropanamide
• Synonyms: (R)-2-Amino-N-benzyl-3-methoxypropanamide

Database IDs

• CAS Number: 196601-69-1
• MDL Number: MFCD14708219
• PubChem SID: 162057685
• PubChem CID: 10104501

CALCULATED PROPERTIES

• Acid pKa: 15.441816
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.019653
• LogD (pH = 7.4): -0.34446576
• Log P: 0.15871179
• Molar Refractivity: 58.1237 cm^3
• Polarizability: 22.958542 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%