ethyl 3-(methylamino)propanoate

• ChemBase ID: 264451
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(CCNC)OCC
• Canonical SMILES: CNCCC(=O)OCC
• InChI: InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3
• InChIKey: XVIJMHJTEHBUJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(methylamino)propanoate
• IUPAC Traditional name: ethyl 3-(methylamino)propanoate
• Synonyms: ethyl 3-(methylamino)propanoate

Database IDs

• MDL Number: MFCD00672194
• PubChem SID: 164320361
• PubChem CID: 541480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1578186
• LogD (pH = 7.4): -2.118119
• Log P: 0.024819585
• Molar Refractivity: 34.9951 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.435

Product Information

• Purity: 95%