methyl 2-amino-2-(pyridin-2-yl)acetate

• ChemBase ID: 52715
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(C(c1ccccn1)N)OC
• Canonical SMILES: COC(=O)C(c1ccccn1)N
• InChI: InChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-4-2-3-5-10-6/h2-5,7H,9H2,1H3
• InChIKey: QTFMJZOMHQTYAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-(pyridin-2-yl)acetate
• IUPAC Traditional name: methyl 2-amino-2-(pyridin-2-yl)acetate
• Synonyms: Methyl 2-amino-2-(pyridin-2-yl)acetate

Database IDs

• CAS Number: 154410-83-0
• MDL Number: MFCD09835316
• PubChem SID: 162057478
• PubChem CID: 10909919

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.38233417
• LogD (pH = 7.4): 0.09189921
• Log P: 0.1030258
• Molar Refractivity: 42.6015 cm^3
• Polarizability: 17.250963 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%