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

• ChemBase ID: 144387
• Molecular Formular: C6H15NO4
• Molecular Mass: 165.1876
• Monoisotopic Mass: 165.10010797
• SMILES: CN(CCOC)CC(=O)O.O
• Canonical SMILES: COCCN(CC(=O)O)C.O
• InChI: InChI=1S/C6H13NO3.H2O/c1-7(3-4-10-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H2
• InChIKey: FTCIZMYIDXVGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18428090
• PubChem SID: 162238602
• PubChem CID: 53398944

CALCULATED PROPERTIES

• 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
• Acid pKa: 1.7691215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1063032

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H15NO4

DETAILS

Sigma Aldrich - CBR01005

Analysis Note
may contain up to 1 eq water
Other Notes
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Legal Information
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