methyl 3-[(2-methoxyethyl)amino]propanoate

• ChemBase ID: 24402
• Molecular Formular: C7H15NO3
• Molecular Mass: 161.1989
• Monoisotopic Mass: 161.10519335
• SMILES: C(=O)(CCNCCOC)OC
• Canonical SMILES: COCCNCCC(=O)OC
• InChI: InChI=1S/C7H15NO3/c1-10-6-5-8-4-3-7(9)11-2/h8H,3-6H2,1-2H3
• InChIKey: GTRHZOVTLYYYJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[(2-methoxyethyl)amino]propanoate
• IUPAC Traditional name: methyl 3-[(2-methoxyethyl)amino]propanoate
• Synonyms: Methyl 3-[(2-methoxyethyl)amino]propanoate

Database IDs

• MDL Number: MFCD10687305
• PubChem SID: 160987709
• PubChem CID: 28307088

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4366152
• LogD (pH = 7.4): -1.9973843
• Log P: -0.3789639
• Molar Refractivity: 41.29 cm^3
• Polarizability: 16.639622 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.196

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%