2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid

C15H12N2O6 — CID 165460076

IUPAC2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCC1(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)
InChIKeyVWVJRXADTDRXRW-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.18
Rot. Bonds2

About 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid

2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 165460076) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID165460076
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCC1(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)
InChIKeyVWVJRXADTDRXRW-UHFFFAOYSA-N
XLogP0.18
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-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 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid (CID 165460076) is 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid is CC1(N2C(=O)c3ccc(C(=O)O)cc3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is VWVJRXADTDRXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23).
What are the key properties of 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 316.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 165460076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).