ethyl 2-amino-2-(3-methylpyridin-2-yl)acetate

• ChemBase ID: 812357
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(C(=O)OCC)(c1ncccc1C)N
• Canonical SMILES: CCOC(=O)C(c1ncccc1C)N
• InChI: InChI=1S/C10H14N2O2/c1-3-14-10(13)8(11)9-7(2)5-4-6-12-9/h4-6,8H,3,11H2,1-2H3
• InChIKey: JPPFCGMKZKWAIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-(3-methylpyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-amino-2-(3-methylpyridin-2-yl)acetate
• Synonyms: AMINO-(3-METHYL-PYRIDIN-2-YL)-ACETIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47552186
• LogD (pH = 7.4): 0.9616557
• Log P: 0.97325516
• Molar Refractivity: 52.3913 cm^3
• Polarizability: 20.850382 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%