3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid

C15H17NO4 — CID 65266462

IUPAC3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-14(2,13(19)20)15(3,4)16-11(17)9-7-5-6-8-10(9)12(16)18/h5-8H,1-4H3,(H,19,20)
InChIKeyXUQBBIQPHWTEGZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.17
Rot. Bonds3

About 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid

3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid (PubChem CID 65266462) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
PubChem CID65266462
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO4/c1-14(2,13(19)20)15(3,4)16-11(17)9-7-5-6-8-10(9)12(16)18/h5-8H,1-4H3,(H,19,20)
InChIKeyXUQBBIQPHWTEGZ-UHFFFAOYSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-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-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid (CID 65266462) is 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid is CC(C)(C(=O)O)C(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid?
The InChIKey is XUQBBIQPHWTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-14(2,13(19)20)15(3,4)16-11(17)9-7-5-6-8-10(9)12(16)18/h5-8H,1-4H3,(H,19,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid?
3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).