2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid

C11H15NO6 — CID 68852461

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid
SMILESCC(CCCC(=O)O)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyYCNZWFRKAMNVII-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.23
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid

2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid (PubChem CID 68852461) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid
PubChem CID68852461
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid
SMILESCC(CCCC(=O)O)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyYCNZWFRKAMNVII-UHFFFAOYSA-N
XLogP0.23
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.23
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-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid (CID 68852461) is 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid is CC(CCCC(=O)O)(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid?
The InChIKey is YCNZWFRKAMNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-11(10(17)18,6-2-3-9(15)16)12-7(13)4-5-8(12)14/h2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid?
2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid has a molecular weight of 257.24 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-2-methylhexanedioic acid is sourced from PubChem (CID 68852461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).