2-(morpholin-4-yl)butanoic acid

• ChemBase ID: 308059
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: N1(C(C(=O)O)CC)CCOCC1
• Canonical SMILES: CCC(C(=O)O)N1CCOCC1
• InChI: InChI=1S/C8H15NO3/c1-2-7(8(10)11)9-3-5-12-6-4-9/h7H,2-6H2,1H3,(H,10,11)
• InChIKey: WMDSBNWXSJDRMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 87439-09-6
• MDL Number: MFCD09971250

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8134733
• LogD (pH = 7.4): -2.3139796
• Log P: -1.8078058
• Molar Refractivity: 44.1651 cm^3
• Polarizability: 17.513292 Å^3
• Polar Surface Area: 49.77 Å^2