2-[(2-methoxyethyl)(methyl)amino]acetic acid

• ChemBase ID: 34505
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(CN(CCOC)C)O
• Canonical SMILES: COCCN(CC(=O)O)C
• InChI: InChI=1S/C6H13NO3/c1-7(3-4-10-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
• InChIKey: FSGZMFWQBDILDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915925-21-2
• MDL Number: MFCD08691616
• PubChem SID: 160997812
• PubChem CID: 25219492

CALCULATED PROPERTIES

• Acid pKa: 1.7691215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1063032
• LogD (pH = 7.4): -3.1107976
• Log P: -3.106384
• Molar Refractivity: 37.1162 cm^3
• Polarizability: 14.570952 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false