methyl 2-(methylamino)-2-(pyridin-2-yl)propanoate

• ChemBase ID: 246632
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(C(=O)OC)(c1ncccc1)(NC)C
• Canonical SMILES: COC(=O)C(c1ccccn1)(NC)C
• InChI: InChI=1S/C10H14N2O2/c1-10(11-2,9(13)14-3)8-6-4-5-7-12-8/h4-7,11H,1-3H3
• InChIKey: QNBCSIBZDVLZRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(methylamino)-2-(pyridin-2-yl)propanoate
• IUPAC Traditional name: methyl 2-(methylamino)-2-(pyridin-2-yl)propanoate
• Synonyms: methyl 2-(methylamino)-2-(pyridin-2-yl)propanoate

Database IDs

• MDL Number: MFCD12150922
• PubChem SID: 164302542
• PubChem CID: 60787403

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.87984633
• LogD (pH = 7.4): 0.9671371
• Log P: 0.9683721
• Molar Refractivity: 52.0894 cm^3
• Polarizability: 20.925398 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.113

Product Information

• Purity: 95%