2-[ethyl(methyl)amino]butanoic acid

• ChemBase ID: 308249
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(C(N(CC)C)CC)O
• Canonical SMILES: CCN(C(C(=O)O)CC)C
• InChI: InChI=1S/C7H15NO2/c1-4-6(7(9)10)8(3)5-2/h6H,4-5H2,1-3H3,(H,9,10)
• InChIKey: ACCMUEPRBWHEEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]butanoic acid
• IUPAC Traditional name: 2-[ethyl(methyl)amino]butanoic acid
• Synonyms: 2-[ethyl(methyl)amino]butanoic acid

Database IDs

• CAS Number: 1214699-59-8
• MDL Number: MFCD10686593

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6142563
• LogD (pH = 7.4): -1.6144155
• Log P: -1.6141644
• Molar Refractivity: 39.8392 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 40.54 Å^2