ethyl 2-amino-2-(quinolin-2-yl)acetate

• ChemBase ID: 812358
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: C(C(=O)OCC)(c1ccc2c(cccc2)n1)N
• Canonical SMILES: CCOC(=O)C(c1ccc2c(n1)cccc2)N
• InChI: InChI=1S/C13H14N2O2/c1-2-17-13(16)12(14)11-8-7-9-5-3-4-6-10(9)15-11/h3-8,12H,2,14H2,1H3
• InChIKey: SRTYAARRQSMBJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-(quinolin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-amino-2-(quinolin-2-yl)acetate
• Synonyms: AMINO-QUINOLIN-2-YL-ACETIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3360943
• LogD (pH = 7.4): 1.8235112
• Log P: 1.8351609
• Molar Refractivity: 63.4283 cm^3
• Polarizability: 26.610035 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%