1-(aminomethyl)cyclopentane-1-carboxylic acid

• ChemBase ID: 307668
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(C(=O)O)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)C(=O)O
• InChI: InChI=1S/C7H13NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-5,8H2,(H,9,10)
• InChIKey: VZQSZPCSJJSCDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 102074-43-1
• MDL Number: MFCD09971199

CALCULATED PROPERTIES

• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 63.32 Å^2
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6627022
• LogD (pH = 7.4): -1.6491884
• Log P: -1.6491842
• Molar Refractivity: 37.1781 cm^3