2-[ethyl(methyl)amino]acetic acid

• ChemBase ID: 33320
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(CN(CC)C)O
• Canonical SMILES: CN(CC)CC(=O)O
• InChI: InChI=1S/C5H11NO2/c1-3-6(2)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
• InChIKey: FOAINFSTWSHMPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]acetic acid
• IUPAC Traditional name: [ethyl(methyl)amino]acetic acid
• Synonyms: [Ethyl(methyl)amino]acetic acid; N-ethyl-N-methylglycine

Database IDs

• CAS Number: 740792-70-5
• MDL Number: MFCD10686552
• PubChem SID: 160996627
• PubChem CID: 18409046

CALCULATED PROPERTIES

• Acid pKa: 1.9843897
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7046533
• LogD (pH = 7.4): -2.7055364
• Log P: -2.7046053
• Molar Refractivity: 30.8213 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false