3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid

C11H15NO4 — CID 65265982

IUPAC3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c1-10(2,9(15)16)11(3,4)12-7(13)5-6-8(12)14/h5-6H,1-4H3,(H,15,16)
InChIKeyHOOYHAFVAMVQMX-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.80
Rot. Bonds3

About 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid

3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid (PubChem CID 65265982) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid
PubChem CID65265982
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H15NO4/c1-10(2,9(15)16)11(3,4)12-7(13)5-6-8(12)14/h5-6H,1-4H3,(H,15,16)
InChIKeyHOOYHAFVAMVQMX-UHFFFAOYSA-N
XLogP0.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic 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-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid (CID 65265982) is 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid is CC(C)(C(=O)O)C(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid?
The InChIKey is HOOYHAFVAMVQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-10(2,9(15)16)11(3,4)12-7(13)5-6-8(12)14/h5-6H,1-4H3,(H,15,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid?
3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).