methyl 2-(pyrrolidin-3-yl)acetate

• ChemBase ID: 287324
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: COC(=O)CC1CCNC1
• Canonical SMILES: COC(=O)CC1CNCC1
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)4-6-2-3-8-5-6/h6,8H,2-5H2,1H3
• InChIKey: QKONQSPVWNDJJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(pyrrolidin-3-yl)acetate
• IUPAC Traditional name: methyl 2-(pyrrolidin-3-yl)acetate
• Synonyms: methyl 3-pyrrolidinylacetate; Methyl 2-(pyrrolidin-3-yl)acetate

Database IDs

• CAS Number: 95274-14-9
• MDL Number: MFCD08234793
• PubChem SID: 180672855
• PubChem CID: 13424175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3897471
• LogD (pH = 7.4): -3.1472902
• Log P: -0.15188722
• Molar Refractivity: 37.7415 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%