methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate

• ChemBase ID: 267665
• Molecular Formular: C9H19NO3
• Molecular Mass: 189.25206
• Monoisotopic Mass: 189.13649347
• SMILES: C(=O)(C(CNCCOCC)C)OC
• Canonical SMILES: CCOCCNCC(C(=O)OC)C
• InChI: InChI=1S/C9H19NO3/c1-4-13-6-5-10-7-8(2)9(11)12-3/h8,10H,4-7H2,1-3H3
• InChIKey: OQRHCRWPOTXMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate
• IUPAC Traditional name: methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate
• Synonyms: methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate

Database IDs

• MDL Number: MFCD12079827
• PubChem SID: 164323575
• PubChem CID: 13614327

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.587389
• LogD (pH = 7.4): -1.2557503
• Log P: 0.52083033
• Molar Refractivity: 50.6131 cm^3
• Polarizability: 20.305481 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.894

Product Information

• Purity: 95%