2-amino-4-ethoxy-4-oxobutanoic acid

• ChemBase ID: 309129
• Molecular Formular: C6H11NO4
• Molecular Mass: 161.15584
• Monoisotopic Mass: 161.06880784
• SMILES: C(C(=O)OCC)C(C(=O)O)N
• Canonical SMILES: CCOC(=O)CC(C(=O)O)N
• InChI: InChI=1S/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)
• InChIKey: KALSWOYBXAHEKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-ethoxy-4-oxobutanoic acid
• IUPAC Traditional name: 2-amino-4-ethoxy-4-oxobutanoic acid
• Synonyms: 2-amino-4-ethoxy-4-oxobutanoic acid

Database IDs

• CAS Number: 21860-86-6
• MDL Number: MFCD03938845

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.0036185
• Log P: -2.9789755
• Molar Refractivity: 36.0504 cm^3
• Polarizability: 14.725156 Å^3
• Polar Surface Area: 89.62 Å^2
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.978948