5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid

C5H5NO6 — CID 174859409

IUPAC5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1NC(C(=O)O)C(=O)O1
InChIInChI=1S/C5H5NO6/c7-3(8)1-5(11)12-2(6-1)4(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChIKeyJBBYQDHVZVKZKI-UHFFFAOYSA-N
MW175.10 g/mol
LogP-2.00
Rot. Bonds2

About 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid

5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid (PubChem CID 174859409) has the molecular formula C5H5NO6 and a molecular weight of 175.10 g/mol. Its IUPAC name is 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid
PubChem CID174859409
Molecular FormulaC5H5NO6
Molecular Weight175.10 g/mol
Exact Mass175.01
IUPAC Name5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1NC(C(=O)O)C(=O)O1
InChIInChI=1S/C5H5NO6/c7-3(8)1-5(11)12-2(6-1)4(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChIKeyJBBYQDHVZVKZKI-UHFFFAOYSA-N
XLogP-2.00
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid?
The IUPAC name of 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid (CID 174859409) is 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid?
The canonical SMILES for 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid is O=C(O)C1NC(C(=O)O)C(=O)O1.
What is the InChIKey of 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid?
The InChIKey is JBBYQDHVZVKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6/c7-3(8)1-5(11)12-2(6-1)4(9)10/h1-2,6H,(H,7,8)(H,9,10).
What are the key properties of 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid?
5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid has a molecular weight of 175.10 g/mol, XLogP of -2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,3-oxazolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 174859409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).