2-(2-acetamidoethoxy)acetic acid

• ChemBase ID: 247257
• Molecular Formular: C6H11NO4
• Molecular Mass: 161.15584
• Monoisotopic Mass: 161.06880784
• SMILES: C(=O)(NCCOCC(=O)O)C
• Canonical SMILES: CC(=O)NCCOCC(=O)O
• InChI: InChI=1S/C6H11NO4/c1-5(8)7-2-3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
• InChIKey: BLFNGWLVKATGEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-acetamidoethoxy)acetic acid
• IUPAC Traditional name: (2-acetamidoethoxy)acetic acid
• Synonyms: 2-(2-acetamidoethoxy)acetic acid

Database IDs

• MDL Number: MFCD21933536
• PubChem SID: 164303167
• PubChem CID: 57148941

CALCULATED PROPERTIES

• Acid pKa: 3.848661
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0308218
• LogD (pH = 7.4): -4.614964
• Log P: -1.3756045
• Molar Refractivity: 36.4907 cm^3
• Polarizability: 14.371446 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.985

Product Information

• Purity: 95%