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

• ChemBase ID: 248059
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C1(C2C(C(C1)CC2)N)C(=O)O
• Canonical SMILES: OC(=O)C1CC2C(C1CC2)N
• InChI: InChI=1S/C8H13NO2/c9-7-4-1-2-5(7)6(3-4)8(10)11/h4-7H,1-3,9H2,(H,10,11)
• InChIKey: GZXLJGILLBLYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303969
• PubChem CID: 71758379

CALCULATED PROPERTIES

• Acid pKa: 4.3038044
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0664685
• LogD (pH = 7.4): -2.0449138
• Log P: -2.0451717
• Molar Refractivity: 39.7129 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: 95%