1-(dimethylamino)cyclopentane-1-carboxylic acid

• ChemBase ID: 240441
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(C(=O)O)(N(C)C)CCCC1
• Canonical SMILES: CN(C1(CCCC1)C(=O)O)C
• InChI: InChI=1S/C8H15NO2/c1-9(2)8(7(10)11)5-3-4-6-8/h3-6H2,1-2H3,(H,10,11)
• InChIKey: NRMYFMNUISAWFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12064743
• PubChem SID: 164296351
• PubChem CID: 22016561

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.4797257
• LogD (pH = 7.4): -1.4798656
• Log P: -1.4796681
• Molar Refractivity: 42.5257 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 1.914555
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.35

Product Information

• Purity: 95%