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

• ChemBase ID: 272199
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: C(=O)(CCNCCOC)O
• Canonical SMILES: COCCNCCC(=O)O
• InChI: InChI=1S/C6H13NO3/c1-10-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3,(H,8,9)
• InChIKey: BVGXKFLELPHBDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11174804
• PubChem SID: 164328109
• PubChem CID: 22937888

CALCULATED PROPERTIES

• Acid pKa: 3.8029778
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0029156
• LogD (pH = 7.4): -2.9978247
• Log P: -2.9967563
• Molar Refractivity: 36.5209 cm^3
• Polarizability: 14.570952 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.549

Product Information

• Purity: 95%