2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid

C11H15NO6 — CID 62933790

IUPAC2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
SMILESCC1CC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C1
InChIInChI=1S/C11H15NO6/c1-6-4-8(13)12(9(14)5-6)7(11(17)18)2-3-10(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyHDZHJWOPLFPHDE-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.09
Rot. Bonds5

About 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid

2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid (PubChem CID 62933790) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
PubChem CID62933790
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
SMILESCC1CC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C1
InChIInChI=1S/C11H15NO6/c1-6-4-8(13)12(9(14)5-6)7(11(17)18)2-3-10(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyHDZHJWOPLFPHDE-UHFFFAOYSA-N
XLogP0.09
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid?
The IUPAC name of 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid (CID 62933790) is 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid.
What is the SMILES notation for 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid?
The canonical SMILES for 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid is CC1CC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C1.
What is the InChIKey of 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid?
The InChIKey is HDZHJWOPLFPHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-6-4-8(13)12(9(14)5-6)7(11(17)18)2-3-10(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid?
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid has a molecular weight of 257.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid is sourced from PubChem (CID 62933790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).