1-(methylamino)cyclopentane-1-carboxylic acid

• ChemBase ID: 309295
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(=O)(C1(NC)CCCC1)O
• Canonical SMILES: CNC1(CCCC1)C(=O)O
• InChI: InChI=1S/C7H13NO2/c1-8-7(6(9)10)4-2-3-5-7/h8H,2-5H2,1H3,(H,9,10)
• InChIKey: HENGJKIYGDMCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methylamino)cyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-(methylamino)cyclopentane-1-carboxylic acid
• Synonyms: 1-(methylamino)cyclopentanecarboxylic acid

Database IDs

• CAS Number: 22649-36-1
• MDL Number: MFCD00672633

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6036031
• LogD (pH = 7.4): -1.6036546
• Log P: -1.6035051
• Molar Refractivity: 37.231 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 49.33 Å^2