methyl 2-[(2S)-pyrrolidin-2-yl]acetate

• ChemBase ID: 803584
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: O(C(=O)C[C@H]1NCCC1)C
• Canonical SMILES: COC(=O)C[C@@H]1CCCN1
• InChI: InChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3/t6-/m0/s1
• InChIKey: QVQOWGPBRKRAOW-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2S)-pyrrolidin-2-yl]acetate
• IUPAC Traditional name: methyl 2-[(2S)-pyrrolidin-2-yl]acetate
• Synonyms: (S)-METHYL 2-(PYRROLIDIN-2-YL)ACETATE

Database IDs

• CAS Number: 53912-83-7

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0956697
• LogD (pH = 7.4): -2.5810475
• Log P: 0.13357617
• Molar Refractivity: 37.4577 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3

PROPERTIES

Product Information

• Purity: 98%