methyl 2-(pyrrolidin-1-yl)acetate

• ChemBase ID: 259526
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N1(CC(=O)OC)CCCC1
• Canonical SMILES: COC(=O)CN1CCCC1
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
• InChIKey: BMWOSLXYXGTLAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(pyrrolidin-1-yl)acetate
• IUPAC Traditional name: methyl 2-(pyrrolidin-1-yl)acetate
• Synonyms: methyl 2-(pyrrolidin-1-yl)acetate

Database IDs

• MDL Number: MFCD01672788
• PubChem SID: 164315436
• PubChem CID: 30903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5863919
• LogD (pH = 7.4): -0.037618198
• Log P: 0.2198443
• Molar Refractivity: 38.3828 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.949

Product Information

• Purity: 95%