ethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate

• ChemBase ID: 34502
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: N1(C(C(=O)OCC)C)CC(OC(C1)C)C
• Canonical SMILES: CCOC(=O)C(N1CC(C)OC(C1)C)C
• InChI: InChI=1S/C11H21NO3/c1-5-14-11(13)10(4)12-6-8(2)15-9(3)7-12/h8-10H,5-7H2,1-4H3
• InChIKey: VRPVHBYXXVIEBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate
• IUPAC Traditional name: ethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate
• Synonyms: Ethyl 2-(2,6-dimethylmorpholin-4-yl)propanoate

Database IDs

• MDL Number: MFCD12027090
• PubChem SID: 160997809
• PubChem CID: 25219491

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9107406
• LogD (pH = 7.4): 1.3446565
• Log P: 1.3542687
• Molar Refractivity: 57.9964 cm^3
• Polarizability: 23.25672 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false