5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C8H8O6 — CID 141243994

IUPAC5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C1CC2OC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C8H8O6/c9-2-1-3-4(7(10)11)5(8(12)13)6(2)14-3/h3-6H,1H2,(H,10,11)(H,12,13)
InChIKeyDEOGDRZBQZNAJG-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.87
Rot. Bonds2

About 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 141243994) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID141243994
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C1CC2OC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C8H8O6/c9-2-1-3-4(7(10)11)5(8(12)13)6(2)14-3/h3-6H,1H2,(H,10,11)(H,12,13)
InChIKeyDEOGDRZBQZNAJG-UHFFFAOYSA-N
XLogP-0.87
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 141243994) is 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is O=C1CC2OC1C(C(=O)O)C2C(=O)O.
What is the InChIKey of 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is DEOGDRZBQZNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6/c9-2-1-3-4(7(10)11)5(8(12)13)6(2)14-3/h3-6H,1H2,(H,10,11)(H,12,13).
What are the key properties of 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 141243994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).