2-(aminomethyl)-2-ethylbutanoic acid

• ChemBase ID: 307666
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(C(=O)O)(CN)(CC)CC
• Canonical SMILES: CCC(C(=O)O)(CN)CC
• InChI: InChI=1S/C7H15NO2/c1-3-7(4-2,5-8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)
• InChIKey: DJMGOQPIWSFBOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-2-ethylbutanoic acid
• IUPAC Traditional name: 2-(aminomethyl)-2-ethylbutanoic acid
• Synonyms: 2-(aminomethyl)-2-ethylbutanoic acid

Database IDs

• MDL Number: MFCD09055366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.209412
• LogD (pH = 7.4): -1.1855302
• Log P: -1.1857389
• Molar Refractivity: 38.9803 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 63.32 Å^2