2-aminobicyclo[3.1.0]hexane-2-carboxylic acid

• ChemBase ID: 282203
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: C12C(C(=O)O)(CCC2C1)N
• Canonical SMILES: OC(=O)C1(N)CCC2C1C2
• InChI: InChI=1S/C7H11NO2/c8-7(6(9)10)2-1-4-3-5(4)7/h4-5H,1-3,8H2,(H,9,10)
• InChIKey: AACSNIQVNXWPQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminobicyclo[3.1.0]hexane-2-carboxylic acid
• IUPAC Traditional name: 2-aminobicyclo[3.1.0]hexane-2-carboxylic acid
• Synonyms: 2-aminobicyclo[3.1.0]hexane-2-carboxylic acid

Database IDs

• MDL Number: MFCD17480482
• PubChem SID: 180667734
• PubChem CID: 50989631

CALCULATED PROPERTIES

• Acid pKa: 2.319298
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0835743
• LogD (pH = 7.4): -2.0846906
• Log P: -2.083449
• Molar Refractivity: 35.0734 cm^3
• Polarizability: 14.237042 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.269

Product Information

• Purity: 95%