ethyl 2-amino-2-(6-methoxypyridin-2-yl)acetate

• ChemBase ID: 815387
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: O(C(=O)C(c1nc(ccc1)OC)N)CC
• Canonical SMILES: CCOC(=O)C(c1cccc(n1)OC)N
• InChI: InChI=1S/C10H14N2O3/c1-3-15-10(13)9(11)7-5-4-6-8(12-7)14-2/h4-6,9H,3,11H2,1-2H3
• InChIKey: HPSQQISEAPPGKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-(6-methoxypyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-amino-2-(6-methoxypyridin-2-yl)acetate
• Synonyms: ethyl 2-amino-2-(6-methoxypyridin-2-yl)acetate

Database IDs

• CAS Number: 1245913-73-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.41091257
• LogD (pH = 7.4): 0.88548046
• Log P: 0.89662004
• Molar Refractivity: 54.1268 cm^3
• Polarizability: 21.628016 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%