2-methyl-2-(morpholin-4-yl)propanoic acid

• ChemBase ID: 308005
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(N1CCOCC1)(C(=O)O)(C)C
• Canonical SMILES: OC(=O)C(N1CCOCC1)(C)C
• InChI: InChI=1S/C8H15NO3/c1-8(2,7(10)11)9-3-5-12-6-4-9/h3-6H2,1-2H3,(H,10,11)
• InChIKey: ZIYBQIQKOLIMKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(morpholin-4-yl)propanoic acid
• IUPAC Traditional name: 2-methyl-2-(morpholin-4-yl)propanoic acid
• Synonyms: 2-methyl-2-(4-morpholinyl)propanoic acid

Database IDs

• CAS Number: 87439-10-9
• MDL Number: MFCD05230906

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9505146
• LogD (pH = 7.4): -2.4198115
• Log P: -1.9454272
• Molar Refractivity: 44.3544 cm^3
• Polarizability: 17.513292 Å^3
• Polar Surface Area: 49.77 Å^2