(2S)-2-methoxypropanamide

• ChemBase ID: 173145
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C[C@@H](C(=O)N)OC
• Canonical SMILES: C[C@@H](C(=O)N)OC
• InChI: InChI=1S/C4H9NO2/c1-3(7-2)4(5)6/h3H,1-2H3,(H2,5,6)/t3-/m0/s1
• InChIKey: WOGXHNJBKGZMHV-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methoxypropanamide
• IUPAC Traditional name: (2S)-2-methoxypropanamide
• Synonyms: (S)-(-)-2-Methoxypropionamide; (R)-(+)-2-Methoxypropionamide

Database IDs

• CAS Number: 336111-20-7; 336111-21-8
• PubChem SID: 164229055
• PubChem CID: 2733586

CALCULATED PROPERTIES

• Acid pKa: 15.937504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6356456
• LogD (pH = 7.4): -0.6356456
• Log P: -0.6356456
• Molar Refractivity: 25.4132 cm^3
• Polarizability: 10.050503 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetonitrile; Methanol,
• Apperance: Off-White Solid; Yellow Solid
• Melting Point: 76-78°C