3-methoxycarbonyloxetane-3-carboxylic acid

C6H8O5 — CID 132992795

IUPAC3-methoxycarbonyloxetane-3-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)COC1
InChIInChI=1S/C6H8O5/c1-10-5(9)6(4(7)8)2-11-3-6/h2-3H2,1H3,(H,7,8)
InChIKeyYXPKUUCPGGGSDI-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.74
Rot. Bonds2

About 3-methoxycarbonyloxetane-3-carboxylic acid

3-methoxycarbonyloxetane-3-carboxylic acid (PubChem CID 132992795) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-methoxycarbonyloxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyloxetane-3-carboxylic acid
PubChem CID132992795
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-methoxycarbonyloxetane-3-carboxylic acid
SMILESCOC(=O)C1(C(=O)O)COC1
InChIInChI=1S/C6H8O5/c1-10-5(9)6(4(7)8)2-11-3-6/h2-3H2,1H3,(H,7,8)
InChIKeyYXPKUUCPGGGSDI-UHFFFAOYSA-N
XLogP-0.74
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-methoxycarbonyloxetane-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-methoxycarbonyloxetane-3-carboxylic acid?
The IUPAC name of 3-methoxycarbonyloxetane-3-carboxylic acid (CID 132992795) is 3-methoxycarbonyloxetane-3-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyloxetane-3-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyloxetane-3-carboxylic acid is COC(=O)C1(C(=O)O)COC1.
What is the InChIKey of 3-methoxycarbonyloxetane-3-carboxylic acid?
The InChIKey is YXPKUUCPGGGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-10-5(9)6(4(7)8)2-11-3-6/h2-3H2,1H3,(H,7,8).
What are the key properties of 3-methoxycarbonyloxetane-3-carboxylic acid?
3-methoxycarbonyloxetane-3-carboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyloxetane-3-carboxylic acid is sourced from PubChem (CID 132992795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).