2-aminodecanedioic acid

• ChemBase ID: 202393
• Molecular Formular: C10H19NO4
• Molecular Mass: 217.26216
• Monoisotopic Mass: 217.13140809
• SMILES: C(=O)(C(N)CCCCCCCC(=O)O)O
• Canonical SMILES: OC(=O)CCCCCCCC(C(=O)O)N
• InChI: InChI=1S/C10H19NO4/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8H,1-7,11H2,(H,12,13)(H,14,15)
• InChIKey: OZELAETXNOXZOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminodecanedioic acid
• IUPAC Traditional name: 2-aminodecanedioic acid

Database IDs

• PubChem SID: 164258303
• PubChem CID: 3762849

CALCULATED PROPERTIES

• Acid pKa: 2.7415195
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.7482699
• LogD (pH = 7.4): -3.5256748
• Log P: -1.0503442
• Molar Refractivity: 54.2927 cm^3
• Polarizability: 21.768349 Å^3
• Polar Surface Area: 100.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds