3-(1,2-oxazolidin-2-yl)propanoic acid

• ChemBase ID: 307263
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: N1(OCCC1)CCC(=O)O
• Canonical SMILES: OC(=O)CCN1CCCO1
• InChI: InChI=1S/C6H11NO3/c8-6(9)2-4-7-3-1-5-10-7/h1-5H2,(H,8,9)
• InChIKey: XCUWGBCLMIVMOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazolidin-2-yl)propanoic acid
• IUPAC Traditional name: 3-(1,2-oxazolidin-2-yl)propanoic acid
• Synonyms: 3-isoxazolidin-2-ylpropanoic acid

Database IDs

• MDL Number: MFCD08059906

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6945357
• LogD (pH = 7.4): -3.455224
• Log P: -0.5933347
• Molar Refractivity: 34.6207 cm^3
• Polarizability: 13.865244 Å^3
• Polar Surface Area: 49.77 Å^2