10-aminoundecanoic acid

• ChemBase ID: 185249
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: C(=O)(O)CCCCCCCCC(N)C
• Canonical SMILES: CC(CCCCCCCCC(=O)O)N
• InChI: InChI=1S/C11H23NO2/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
• InChIKey: DWHXNKJKNIHNOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-aminoundecanoic acid
• IUPAC Traditional name: 10-aminoundecanoic acid

Database IDs

• PubChem SID: 164241159
• PubChem CID: 3771397

CALCULATED PROPERTIES

• Acid pKa: 4.652019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15242216
• LogD (pH = 7.4): 0.19870678
• Log P: 0.19805074
• Molar Refractivity: 57.4826 cm^3
• Polarizability: 23.025103 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds