methyl 2-[(furan-2-ylmethyl)amino]acetate

• ChemBase ID: 124577
• Molecular Formular: C8H11NO3
• Molecular Mass: 169.17784
• Monoisotopic Mass: 169.07389322
• SMILES: c1(occc1)CNCC(=O)OC
• Canonical SMILES: COC(=O)CNCc1ccco1
• InChI: InChI=1S/C8H11NO3/c1-11-8(10)6-9-5-7-3-2-4-12-7/h2-4,9H,5-6H2,1H3
• InChIKey: FYOJFAPQNMMVPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(furan-2-ylmethyl)amino]acetate
• IUPAC Traditional name: methyl 2-[(furan-2-ylmethyl)amino]acetate
• Synonyms: methyl 2-((furan-2-ylmethyl)amino)acetate

Database IDs

• PubChem SID: 162218930
• PubChem CID: 28431579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15380485
• LogD (pH = 7.4): 0.21488164
• Log P: 0.21571866
• Molar Refractivity: 42.5506 cm^3
• Polarizability: 16.88548 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true