3-amino-1-fluorocyclopentane-1-carboxylic acid

• ChemBase ID: 246189
• Molecular Formular: C6H10FNO2
• Molecular Mass: 147.1475032
• Monoisotopic Mass: 147.06955679
• SMILES: NC1CCC(F)(C1)C(=O)O
• Canonical SMILES: NC1CCC(C1)(F)C(=O)O
• InChI: InChI=1S/C6H10FNO2/c7-6(5(9)10)2-1-4(8)3-6/h4H,1-3,8H2,(H,9,10)
• InChIKey: HRGGNZAIHYNTCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-fluorocyclopentane-1-carboxylic acid
• IUPAC Traditional name: 3-amino-1-fluorocyclopentane-1-carboxylic acid
• Synonyms: 3-amino-1-fluorocyclopentanecarboxylic acid

Database IDs

• MDL Number: MFCD23144239
• PubChem SID: 164302099
• PubChem CID: 67229356

CALCULATED PROPERTIES

• Acid pKa: 3.573236
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3998635
• LogD (pH = 7.4): -2.3961139
• Log P: -2.3959293
• Molar Refractivity: 32.3902 cm^3
• Polarizability: 12.942052 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.664

Product Information

• Purity: 95%