2-aminobicyclo[2.2.1]heptane-7-carboxylic acid

• ChemBase ID: 248571
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C1(C2CC(C1CC2)N)C(=O)O
• Canonical SMILES: NC1CC2C(C1CC2)C(=O)O
• InChI: InChI=1S/C8H13NO2/c9-6-3-4-1-2-5(6)7(4)8(10)11/h4-7H,1-3,9H2,(H,10,11)
• InChIKey: ADRXIUGRBQVNBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobicyclo[2.2.1]heptane-7-carboxylic acid
• IUPAC Traditional name: 2-aminobicyclo[2.2.1]heptane-7-carboxylic acid
• Synonyms: 2-aminobicyclo[2.2.1]heptane-7-carboxylic acid

Database IDs

• PubChem SID: 164304481
• PubChem CID: 71758526

CALCULATED PROPERTIES

• Acid pKa: 4.300069
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1442337
• LogD (pH = 7.4): -2.1228993
• Log P: -2.1231291
• Molar Refractivity: 39.7899 cm^3
• Polarizability: 16.067627 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.623

Product Information

• Purity: null%