2-(morpholin-4-yl)-2-(pyridin-2-yl)acetic acid

• ChemBase ID: 306722
• Molecular Formular: C11H14N2O3
• Molecular Mass: 222.24046
• Monoisotopic Mass: 222.10044232
• SMILES: C(N1CCOCC1)(C(=O)O)c1ncccc1
• Canonical SMILES: OC(=O)C(c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C11H14N2O3/c14-11(15)10(9-3-1-2-4-12-9)13-5-7-16-8-6-13/h1-4,10H,5-8H2,(H,14,15)
• InChIKey: SJNDTEBNSFTCCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(pyridin-2-yl)acetic acid
• IUPAC Traditional name: morpholin-4-yl(pyridin-2-yl)acetic acid
• Synonyms: 4-morpholinyl(2-pyridinyl)acetic acid

Database IDs

• MDL Number: MFCD09055218

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3286245
• LogD (pH = 7.4): -2.7528672
• Log P: -0.69684684
• Molar Refractivity: 56.9762 cm^3
• Polarizability: 22.51036 Å^3
• Polar Surface Area: 62.66 Å^2