2-(2-methoxy-N-methylacetamido)acetic acid

• ChemBase ID: 45650
• Molecular Formular: C6H11NO4
• Molecular Mass: 161.15584
• Monoisotopic Mass: 161.06880784
• SMILES: C(=O)(N(CC(=O)O)C)COC
• Canonical SMILES: COCC(=O)N(CC(=O)O)C
• InChI: InChI=1S/C6H11NO4/c1-7(3-6(9)10)5(8)4-11-2/h3-4H2,1-2H3,(H,9,10)
• InChIKey: KIAUQLWVQFRPCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-N-methylacetamido)acetic acid
• IUPAC Traditional name: (2-methoxy-N-methylacetamido)acetic acid
• Synonyms: 2-[(2-Methoxyacetyl)(methyl)amino]acetic acid; 2-(2-methoxy-N-methylacetamido)acetic acid

Database IDs

• MDL Number: MFCD09049704
• PubChem SID: 162050413
• PubChem CID: 16777253

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 3.8263576
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.955817
• LogD (pH = 7.4): -4.529154
• Log P: -1.2790744
• Molar Refractivity: 36.7973 cm^3
• Polarizability: 14.371446 Å^3
• Polar Surface Area: 66.84 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.238

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%