2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid

C14H14N2O6 — CID 170693844

IUPAC2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C1CCC(N2C(O)c3ccc(C(=O)O)cc3C2O)C(=O)N1
InChIInChI=1S/C14H14N2O6/c17-10-4-3-9(11(18)15-10)16-12(19)7-2-1-6(14(21)22)5-8(7)13(16)20/h1-2,5,9,12-13,19-20H,3-4H2,(H,21,22)(H,15,17,18)
InChIKeyUQKXKUGLMJOASV-UHFFFAOYSA-N
MW306.27 g/mol
LogP-0.51
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid

2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 170693844) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID170693844
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C1CCC(N2C(O)c3ccc(C(=O)O)cc3C2O)C(=O)N1
InChIInChI=1S/C14H14N2O6/c17-10-4-3-9(11(18)15-10)16-12(19)7-2-1-6(14(21)22)5-8(7)13(16)20/h1-2,5,9,12-13,19-20H,3-4H2,(H,21,22)(H,15,17,18)
InChIKeyUQKXKUGLMJOASV-UHFFFAOYSA-N
XLogP-0.51
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-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

Related Compounds

4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]methyl]benzamide
CID 174631059
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 167439219
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3,5-dihydroxybenzoic acid
CID 139147305
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155036962
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
1-(2,5-dioxopyrrolidin-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60839788
2-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]acetamide
CID 166855541

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid (CID 170693844) is 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid is O=C1CCC(N2C(O)c3ccc(C(=O)O)cc3C2O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is UQKXKUGLMJOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c17-10-4-3-9(11(18)15-10)16-12(19)7-2-1-6(14(21)22)5-8(7)13(16)20/h1-2,5,9,12-13,19-20H,3-4H2,(H,21,22)(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid?
2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 306.27 g/mol, XLogP of -0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 170693844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).