2-amino-N-(furan-2-ylmethyl)propanamide

• ChemBase ID: 265255
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: C(=O)(NCc1occc1)C(N)C
• Canonical SMILES: O=C(C(N)C)NCc1ccco1
• InChI: InChI=1S/C8H12N2O2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h2-4,6H,5,9H2,1H3,(H,10,11)
• InChIKey: FGGLWQZUOHSTSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(furan-2-ylmethyl)propanamide
• IUPAC Traditional name: 2-amino-N-(furan-2-ylmethyl)propanamide
• Synonyms: 2-amino-N-(furan-2-ylmethyl)propanamide

Database IDs

• MDL Number: MFCD09950370
• PubChem SID: 164321165
• PubChem CID: 22372268

CALCULATED PROPERTIES

• Acid pKa: 12.928558
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.031334
• LogD (pH = 7.4): -1.4039112
• Log P: -0.3772581
• Molar Refractivity: 44.2197 cm^3
• Polarizability: 17.310833 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.239

Product Information

• Purity: 95%