2-methylpyrrolidine-2-carboxylic acid

• ChemBase ID: 309261
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C(=O)(C1(NCCC1)C)O
• Canonical SMILES: OC(=O)C1(C)CCCN1
• InChI: InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)
• InChIKey: LWHHAVWYGIBIEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrrolidine-2-carboxylic acid
• IUPAC Traditional name: 2-methylpyrrolidine-2-carboxylic acid
• Synonyms: 2-methylproline

Database IDs

• CAS Number: 16277-06-8
• MDL Number: MFCD01318632

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1359725
• LogD (pH = 7.4): -2.1358905
• Log P: -2.1358702
• Molar Refractivity: 32.7776 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2