5-methyloxolane-2,3-dicarboxylic acid

C7H10O5 — CID 70497791

IUPAC5-methyloxolane-2,3-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGFDLBOBWQZHESD-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.05
Rot. Bonds2

About 5-methyloxolane-2,3-dicarboxylic acid

5-methyloxolane-2,3-dicarboxylic acid (PubChem CID 70497791) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-methyloxolane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methyloxolane-2,3-dicarboxylic acid
PubChem CID70497791
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name5-methyloxolane-2,3-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)O1
InChIInChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyGFDLBOBWQZHESD-UHFFFAOYSA-N
XLogP-0.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyloxolane-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-methyloxolane-2,3-dicarboxylic acid?
The IUPAC name of 5-methyloxolane-2,3-dicarboxylic acid (CID 70497791) is 5-methyloxolane-2,3-dicarboxylic acid.
What is the SMILES notation for 5-methyloxolane-2,3-dicarboxylic acid?
The canonical SMILES for 5-methyloxolane-2,3-dicarboxylic acid is CC1CC(C(=O)O)C(C(=O)O)O1.
What is the InChIKey of 5-methyloxolane-2,3-dicarboxylic acid?
The InChIKey is GFDLBOBWQZHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-2-4(6(8)9)5(12-3)7(10)11/h3-5H,2H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 5-methyloxolane-2,3-dicarboxylic acid?
5-methyloxolane-2,3-dicarboxylic acid has a molecular weight of 174.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-2,3-dicarboxylic acid is sourced from PubChem (CID 70497791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).