7-aminodecanoic acid

• ChemBase ID: 182846
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: C(=O)(O)CCCCCC(N)CCC
• Canonical SMILES: CCCC(CCCCCC(=O)O)N
• InChI: InChI=1S/C10H21NO2/c1-2-6-9(11)7-4-3-5-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
• InChIKey: NRKKNXXLTISZHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-aminodecanoic acid
• IUPAC Traditional name: 7-aminodecanoic acid

Database IDs

• PubChem SID: 164238756
• PubChem CID: 2832749

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -0.2111408
• LogD (pH = 7.4): -0.16785845
• Log P: -0.16848628
• Molar Refractivity: 52.8046 cm^3
• Polarizability: 21.184383 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 4.6206326
• H Acceptors: 3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds