ethyl 3-[(3-methoxypropyl)amino]propanoate

• ChemBase ID: 24278
• Molecular Formular: C9H19NO3
• Molecular Mass: 189.25206
• Monoisotopic Mass: 189.13649347
• SMILES: C(=O)(CCNCCCOC)OCC
• Canonical SMILES: COCCCNCCC(=O)OCC
• InChI: InChI=1S/C9H19NO3/c1-3-13-9(11)5-7-10-6-4-8-12-2/h10H,3-8H2,1-2H3
• InChIKey: XTIULWPWCRKKBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[(3-methoxypropyl)amino]propanoate
• IUPAC Traditional name: ethyl 3-[(3-methoxypropyl)amino]propanoate
• Synonyms: Ethyl 3-[(3-methoxypropyl)amino]propanoate

Database IDs

• MDL Number: MFCD10687248
• PubChem SID: 160987585
• PubChem CID: 15818804

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1527748
• LogD (pH = 7.4): -2.1654894
• Log P: 0.037803814
• Molar Refractivity: 50.904 cm^3
• Polarizability: 20.305481 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false