methyl 2-[(6-methylpyridin-2-yl)amino]acetate

• ChemBase ID: 276120
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: n1c(NCC(=O)OC)cccc1C
• Canonical SMILES: COC(=O)CNc1cccc(n1)C
• InChI: InChI=1S/C9H12N2O2/c1-7-4-3-5-8(11-7)10-6-9(12)13-2/h3-5H,6H2,1-2H3,(H,10,11)
• InChIKey: HHEOOPIRZIGLOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(6-methylpyridin-2-yl)amino]acetate
• IUPAC Traditional name: methyl 2-[(6-methylpyridin-2-yl)amino]acetate
• Synonyms: methyl 2-[(6-methylpyridin-2-yl)amino]acetate

Database IDs

• MDL Number: MFCD12763555
• PubChem SID: 164332030
• PubChem CID: 54594017

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5506911
• LogD (pH = 7.4): 0.57770085
• Log P: 0.5780566
• Molar Refractivity: 49.8536 cm^3
• Polarizability: 18.630438 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.368

Product Information

• Purity: 95%