2-(cyclobutene-1-carbonyloxy)butanedioic acid

C9H10O6 — CID 87745196

IUPAC2-(cyclobutene-1-carbonyloxy)butanedioic acid
SMILESO=C(O)CC(OC(=O)C1=CCC1)C(=O)O
InChIInChI=1S/C9H10O6/c10-7(11)4-6(8(12)13)15-9(14)5-2-1-3-5/h2,6H,1,3-4H2,(H,10,11)(H,12,13)
InChIKeyHDXWZIWBPJCNRC-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.18
Rot. Bonds5

About 2-(cyclobutene-1-carbonyloxy)butanedioic acid

2-(cyclobutene-1-carbonyloxy)butanedioic acid (PubChem CID 87745196) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-(cyclobutene-1-carbonyloxy)butanedioic acid.

Molecular Properties

Compound Name2-(cyclobutene-1-carbonyloxy)butanedioic acid
PubChem CID87745196
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name2-(cyclobutene-1-carbonyloxy)butanedioic acid
SMILESO=C(O)CC(OC(=O)C1=CCC1)C(=O)O
InChIInChI=1S/C9H10O6/c10-7(11)4-6(8(12)13)15-9(14)5-2-1-3-5/h2,6H,1,3-4H2,(H,10,11)(H,12,13)
InChIKeyHDXWZIWBPJCNRC-UHFFFAOYSA-N
XLogP0.18
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclobutene-1-carbonyloxy)butanedioic 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 2-(cyclobutene-1-carbonyloxy)butanedioic acid?
The IUPAC name of 2-(cyclobutene-1-carbonyloxy)butanedioic acid (CID 87745196) is 2-(cyclobutene-1-carbonyloxy)butanedioic acid.
What is the SMILES notation for 2-(cyclobutene-1-carbonyloxy)butanedioic acid?
The canonical SMILES for 2-(cyclobutene-1-carbonyloxy)butanedioic acid is O=C(O)CC(OC(=O)C1=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutene-1-carbonyloxy)butanedioic acid?
The InChIKey is HDXWZIWBPJCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c10-7(11)4-6(8(12)13)15-9(14)5-2-1-3-5/h2,6H,1,3-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-(cyclobutene-1-carbonyloxy)butanedioic acid?
2-(cyclobutene-1-carbonyloxy)butanedioic acid has a molecular weight of 214.17 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutene-1-carbonyloxy)butanedioic acid is sourced from PubChem (CID 87745196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).