3-[(2-methoxyethyl)(methyl)amino]propanoic acid

• ChemBase ID: 307570
• Molecular Formular: C7H15NO3
• Molecular Mass: 161.1989
• Monoisotopic Mass: 161.10519335
• SMILES: C(=O)(CCN(CCOC)C)O
• Canonical SMILES: COCCN(CCC(=O)O)C
• InChI: InChI=1S/C7H15NO3/c1-8(5-6-11-2)4-3-7(9)10/h3-6H2,1-2H3,(H,9,10)
• InChIKey: NBCHCTXINNBTRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethyl)(methyl)amino]propanoic acid
• IUPAC Traditional name: 3-[(2-methoxyethyl)(methyl)amino]propanoic acid
• Synonyms: N-(2-methoxyethyl)-N-methyl-beta-alanine

Database IDs

• CAS Number: 915922-60-0
• MDL Number: MFCD08691617

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.874482
• LogD (pH = 7.4): -2.8745866
• Log P: -2.8699753
• Molar Refractivity: 41.8156 cm^3
• Polarizability: 16.397003 Å^3
• Polar Surface Area: 49.77 Å^2