4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

C17H20N2O6 — CID 44514416

IUPAC4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)CC(CCN3C(=O)C=CC3=O)C2=O)CC1
InChIInChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)8-7-11-9-15(22)19(16(11)23)12-3-1-10(2-4-12)17(24)25/h5-6,10-12H,1-4,7-9H2,(H,24,25)
InChIKeyQSNGOLTUTKQWDW-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.32
Rot. Bonds5

About 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid

4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 44514416) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID44514416
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C(=O)CC(CCN3C(=O)C=CC3=O)C2=O)CC1
InChIInChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)8-7-11-9-15(22)19(16(11)23)12-3-1-10(2-4-12)17(24)25/h5-6,10-12H,1-4,7-9H2,(H,24,25)
InChIKeyQSNGOLTUTKQWDW-UHFFFAOYSA-N
XLogP0.32
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid (CID 44514416) is 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2C(=O)CC(CCN3C(=O)C=CC3=O)C2=O)CC1.
What is the InChIKey of 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is QSNGOLTUTKQWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)8-7-11-9-15(22)19(16(11)23)12-3-1-10(2-4-12)17(24)25/h5-6,10-12H,1-4,7-9H2,(H,24,25).
What are the key properties of 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid?
4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,5-dioxopyrrolidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 44514416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).