2-amino-2-ethylbutanoic acid

• ChemBase ID: 283315
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(C(N)(CC)CC)O
• Canonical SMILES: CCC(C(=O)O)(CC)N
• InChI: InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)
• InChIKey: KWOMLHIFHFWBSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01737173
• PubChem SID: 180668846
• PubChem CID: 95206

CALCULATED PROPERTIES

• Acid pKa: 2.7557921
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3635694
• LogD (pH = 7.4): -1.3643929
• Log P: -1.363166
• Molar Refractivity: 34.2586 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.56

Product Information

• Purity: 95%