methyl 5-oxooxolane-2-carboxylate

C6H8O4 — CID 558879

IUPACmethyl 5-oxooxolane-2-carboxylate
SMILESCOC(=O)C1CCC(=O)O1
InChIInChI=1S/C6H8O4/c1-9-6(8)4-2-3-5(7)10-4/h4H,2-3H2,1H3
InChIKeyAFHPZLNLFDYSTG-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.14
Rot. Bonds1

About methyl 5-oxooxolane-2-carboxylate

methyl 5-oxooxolane-2-carboxylate (PubChem CID 558879) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxooxolane-2-carboxylate
PubChem CID558879
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl 5-oxooxolane-2-carboxylate
SMILESCOC(=O)C1CCC(=O)O1
InChIInChI=1S/C6H8O4/c1-9-6(8)4-2-3-5(7)10-4/h4H,2-3H2,1H3
InChIKeyAFHPZLNLFDYSTG-UHFFFAOYSA-N
XLogP-0.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxooxolane-2-carboxylate 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 methyl 5-oxooxolane-2-carboxylate?
The IUPAC name of methyl 5-oxooxolane-2-carboxylate (CID 558879) is methyl 5-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl 5-oxooxolane-2-carboxylate?
The canonical SMILES for methyl 5-oxooxolane-2-carboxylate is COC(=O)C1CCC(=O)O1.
What is the InChIKey of methyl 5-oxooxolane-2-carboxylate?
The InChIKey is AFHPZLNLFDYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-6(8)4-2-3-5(7)10-4/h4H,2-3H2,1H3.
What are the key properties of methyl 5-oxooxolane-2-carboxylate?
methyl 5-oxooxolane-2-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxooxolane-2-carboxylate is sourced from PubChem (CID 558879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).