methyl 3-(ethylamino)-2-methylpropanoate

• ChemBase ID: 268614
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(C(CNCC)C)OC
• Canonical SMILES: CCNCC(C(=O)OC)C
• InChI: InChI=1S/C7H15NO2/c1-4-8-5-6(2)7(9)10-3/h6,8H,4-5H2,1-3H3
• InChIKey: ZMGSTHPWYHINIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(ethylamino)-2-methylpropanoate
• IUPAC Traditional name: methyl 3-(ethylamino)-2-methylpropanoate
• Synonyms: methyl 3-(ethylamino)-2-methylpropanoate

Database IDs

• MDL Number: MFCD12132809
• PubChem SID: 164324524
• PubChem CID: 3889298

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.638752
• LogD (pH = 7.4): -1.7858813
• Log P: 0.5678059
• Molar Refractivity: 39.5696 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%