ethyl 2-(1-methylpyrrolidin-3-yl)acetate

• ChemBase ID: 292723
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: CCOC(=O)CC1CCN(C)C1
• Canonical SMILES: CCOC(=O)CC1CCN(C1)C
• InChI: InChI=1S/C9H17NO2/c1-3-12-9(11)6-8-4-5-10(2)7-8/h8H,3-7H2,1-2H3
• InChIKey: WIWJFRTXGZCEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-methylpyrrolidin-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(1-methylpyrrolidin-3-yl)acetate
• Synonyms: Ethyl 2-(1-methylpyrrolidin-3-yl)acetate

Database IDs

• CAS Number: 103038-21-7
• PubChem SID: 180678254
• PubChem CID: 70700988

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.4586675
• LogD (pH = 7.4): -0.76273036
• Log P: 0.58796865
• Molar Refractivity: 47.7848 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%