2-(2-methoxyacetamido)acetic acid

• ChemBase ID: 45645
• Molecular Formular: C5H9NO4
• Molecular Mass: 147.12926
• Monoisotopic Mass: 147.05315777
• SMILES: C(=O)(NCC(=O)O)COC
• Canonical SMILES: COCC(=O)NCC(=O)O
• InChI: InChI=1S/C5H9NO4/c1-10-3-4(7)6-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
• InChIKey: RSHOGRPEOYNOBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyacetamido)acetic acid
• IUPAC Traditional name: (2-methoxyacetamido)acetic acid
• Synonyms: 2-[(2-Methoxyacetyl)amino]acetic acid; 2-(2-methoxyacetamido)acetic acid

Database IDs

• MDL Number: MFCD09048365
• PubChem SID: 162050408
• PubChem CID: 16775934

CALCULATED PROPERTIES

• Acid pKa: 3.6936955
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.307648
• LogD (pH = 7.4): -4.8107524
• Log P: -1.5027505
• Molar Refractivity: 31.9006 cm^3
• Polarizability: 12.569761 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Classification: Derivatives & analogs of Natural Compounds