(4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid

• ChemBase ID: 309977
• Molecular Formular: C4H5NO4
• Molecular Mass: 131.0868
• Monoisotopic Mass: 131.02185765
• SMILES: N1[C@H](C(=O)O)COC1=O
• Canonical SMILES: O=C1OC[C@H](N1)C(=O)O
• InChI: InChI=1S/C4H5NO4/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
• InChIKey: XMFFFMBLTDERID-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
• IUPAC Traditional name: (4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
• Synonyms: (4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid

Database IDs

• MDL Number: MFCD19217251

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9680972
• LogD (pH = 7.4): -4.11838
• Log P: -0.66890645
• Molar Refractivity: 24.8471 cm^3
• Polarizability: 10.103955 Å^3
• Polar Surface Area: 75.63 Å^2