3-hydroxy-5-oxooxolane-3-carboxylic acid

C5H6O5 — CID 14778487

IUPAC3-hydroxy-5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(O)(C(=O)O)CO1
InChIInChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8)
InChIKeyVCYINFNRMDFDMP-UHFFFAOYSA-N
MW146.10 g/mol
LogP-1.25
Rot. Bonds1

About 3-hydroxy-5-oxooxolane-3-carboxylic acid

3-hydroxy-5-oxooxolane-3-carboxylic acid (PubChem CID 14778487) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-hydroxy-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-oxooxolane-3-carboxylic acid
PubChem CID14778487
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name3-hydroxy-5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(O)(C(=O)O)CO1
InChIInChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8)
InChIKeyVCYINFNRMDFDMP-UHFFFAOYSA-N
XLogP-1.25
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-5-oxooxolane-3-carboxylic 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 3-hydroxy-5-oxooxolane-3-carboxylic acid?
The IUPAC name of 3-hydroxy-5-oxooxolane-3-carboxylic acid (CID 14778487) is 3-hydroxy-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-oxooxolane-3-carboxylic acid is O=C1CC(O)(C(=O)O)CO1.
What is the InChIKey of 3-hydroxy-5-oxooxolane-3-carboxylic acid?
The InChIKey is VCYINFNRMDFDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5/c6-3-1-5(9,2-10-3)4(7)8/h9H,1-2H2,(H,7,8).
What are the key properties of 3-hydroxy-5-oxooxolane-3-carboxylic acid?
3-hydroxy-5-oxooxolane-3-carboxylic acid has a molecular weight of 146.10 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 14778487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).