(2S)-N,N-dimethylpyrrolidine-2-carboxamide

• ChemBase ID: 309970
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(N(C)C)[C@H]1NCCC1
• Canonical SMILES: O=C([C@@H]1CCCN1)N(C)C
• InChI: InChI=1S/C7H14N2O/c1-9(2)7(10)6-4-3-5-8-6/h6,8H,3-5H2,1-2H3/t6-/m0/s1
• InChIKey: MLLMAIJXIZOSFS-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N,N-dimethylpyrrolidine-2-carboxamide
• IUPAC Traditional name: (2S)-N,N-dimethylpyrrolidine-2-carboxamide
• Synonyms: (S)-N,N-DiMethylpyrrolidine-2-carboxaMide; N,N-dimethyl-L-prolinamide

Database IDs

• CAS Number: 29802-22-0
• MDL Number: MFCD00083684

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6637723
• LogD (pH = 7.4): -2.815787
• Log P: -0.4567319
• Molar Refractivity: 39.6799 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%