(2S)-2,3-dihydroxy-N-methoxy-N,2-dimethylpropanamide

• ChemBase ID: 167830
• Molecular Formular: C6H13NO4
• Molecular Mass: 163.17172
• Monoisotopic Mass: 163.0844579
• SMILES: O(N(C(=O)[C@](CO)(O)C)C)C
• Canonical SMILES: CON(C(=O)[C@](CO)(O)C)C
• InChI: InChI=1S/C6H13NO4/c1-6(10,4-8)5(9)7(2)11-3/h8,10H,4H2,1-3H3/t6-/m0/s1
• InChIKey: OCUWTNWBSAMXBI-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,3-dihydroxy-N-methoxy-N,2-dimethylpropanamide
• IUPAC Traditional name: (2S)-2,3-dihydroxy-N-methoxy-N,2-dimethylpropanamide
• Synonyms: (2S)-2,3-Dihydroxy-N-methoxy-N-methyl-2-methylpropanamide; (2S)-2,3-Dihydroxy-N-methoxy-2,N-dimethyl-propionamide

Database IDs

• CAS Number: 149099-00-3
• PubChem SID: 162261963
• PubChem CID: 11480618

CALCULATED PROPERTIES

• Acid pKa: 12.195418
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2944613
• LogD (pH = 7.4): -1.294468
• Log P: -1.2944611
• Molar Refractivity: 38.0626 cm^3
• Polarizability: 15.066293 Å^3
• Polar Surface Area: 70.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: -20°C Freezer