methyl 3-(morpholin-3-yl)propanoate

• ChemBase ID: 811975
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(=O)(CCC1COCCN1)OC
• Canonical SMILES: COC(=O)CCC1COCCN1
• InChI: InChI=1S/C8H15NO3/c1-11-8(10)3-2-7-6-12-5-4-9-7/h7,9H,2-6H2,1H3
• InChIKey: MANALXBUJYRREW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(morpholin-3-yl)propanoate
• IUPAC Traditional name: methyl 3-(morpholin-3-yl)propanoate
• Synonyms: 3-MORPHOLIN-3-YL-PROPIONIC ACID METHYL ESTER

Database IDs

• CAS Number: 885273-99-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6610699
• LogD (pH = 7.4): -0.92708445
• Log P: -0.20206055
• Molar Refractivity: 43.7462 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%