2-(1-methylpyrrolidin-2-yl)acetic acid

• ChemBase ID: 306846
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(C1N(CCC1)C)C(=O)O
• Canonical SMILES: OC(=O)CC1CCCN1C
• InChI: InChI=1S/C7H13NO2/c1-8-4-2-3-6(8)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
• InChIKey: WQGHBXNTZFIOSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylpyrrolidin-2-yl)acetic acid
• IUPAC Traditional name: (1-methylpyrrolidin-2-yl)acetic acid
• Synonyms: (1-methyl-2-pyrrolidinyl)acetic acid

Database IDs

• CAS Number: 5626-43-7
• MDL Number: MFCD14642575

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3673747
• LogD (pH = 7.4): -2.3603568
• Log P: -2.3600605
• Molar Refractivity: 37.9833 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 40.54 Å^2