2-amino-2-methyloctanoic acid

• ChemBase ID: 271482
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C(=O)(C(N)(CCCCCC)C)O
• Canonical SMILES: CCCCCCC(C(=O)O)(N)C
• InChI: InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)
• InChIKey: ZVGFZQSYGLIZHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyloctanoic acid
• IUPAC Traditional name: 2-amino-2-methyloctanoic acid
• Synonyms: 2-amino-2-methyloctanoic acid

Database IDs

• MDL Number: MFCD11198614
• PubChem SID: 164327392
• PubChem CID: 232321

CALCULATED PROPERTIES

• Molar Refractivity: 48.1386 cm^3
• Polarizability: 19.344717 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 2.8961275
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.10768617
• LogD (pH = 7.4): -0.108528145
• Log P: -0.107120894

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.027

Product Information

• Purity: 95%