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

C5H5NO6 — CID 70122267

IUPAC4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid
SMILESO=C(O)C1NC(=O)C(C(=O)O)O1
InChIInChI=1S/C5H5NO6/c7-2-1(4(8)9)12-3(6-2)5(10)11/h1,3H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyVLVXYDLMFLLPBR-UHFFFAOYSA-N
MW175.10 g/mol
LogP-2.00
Rot. Bonds2

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

4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid (PubChem CID 70122267) has the molecular formula C5H5NO6 and a molecular weight of 175.10 g/mol. Its IUPAC name is 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid
PubChem CID70122267
Molecular FormulaC5H5NO6
Molecular Weight175.10 g/mol
Exact Mass175.01
IUPAC Name4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid
SMILESO=C(O)C1NC(=O)C(C(=O)O)O1
InChIInChI=1S/C5H5NO6/c7-2-1(4(8)9)12-3(6-2)5(10)11/h1,3H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyVLVXYDLMFLLPBR-UHFFFAOYSA-N
XLogP-2.00
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
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 ≤ 104

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 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid?
The IUPAC name of 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid (CID 70122267) is 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid.
What is the SMILES notation for 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid?
The canonical SMILES for 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid is O=C(O)C1NC(=O)C(C(=O)O)O1.
What is the InChIKey of 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid?
The InChIKey is VLVXYDLMFLLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6/c7-2-1(4(8)9)12-3(6-2)5(10)11/h1,3H,(H,6,7)(H,8,9)(H,10,11).
What are the key properties of 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid?
4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid has a molecular weight of 175.10 g/mol, XLogP of -2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-oxazolidine-2,5-dicarboxylic acid is sourced from PubChem (CID 70122267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).