4-methoxypyrrolidine-2-carboxamide

• ChemBase ID: 247229
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: N1C(C(=O)N)CC(C1)OC
• Canonical SMILES: COC1CNC(C1)C(=O)N
• InChI: InChI=1S/C6H12N2O2/c1-10-4-2-5(6(7)9)8-3-4/h4-5,8H,2-3H2,1H3,(H2,7,9)
• InChIKey: ITNIYAZQMKVHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyrrolidine-2-carboxamide
• IUPAC Traditional name: 4-methoxypyrrolidine-2-carboxamide
• Synonyms: 4-methoxypyrrolidine-2-carboxamide

Database IDs

• MDL Number: MFCD14597710
• PubChem SID: 164303139
• PubChem CID: 18683679

CALCULATED PROPERTIES

• Molar Refractivity: 35.9556 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.095287
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4649925
• LogD (pH = 7.4): -3.0234644
• Log P: -1.4086552

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.403

Product Information

• Purity: 95%