methyl 3-(ethylamino)propanoate

• ChemBase ID: 261601
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(CCNCC)OC
• Canonical SMILES: CCNCCC(=O)OC
• InChI: InChI=1S/C6H13NO2/c1-3-7-5-4-6(8)9-2/h7H,3-5H2,1-2H3
• InChIKey: KDGSVMQRTUAIDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(ethylamino)propanoate
• IUPAC Traditional name: methyl 3-(ethylamino)propanoate
• Synonyms: methyl 3-(ethylamino)propanoate

Database IDs

• MDL Number: MFCD09035843
• PubChem SID: 164317511
• PubChem CID: 76973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1674457
• LogD (pH = 7.4): -2.1923084
• 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%