2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid

C12H12N2O6 — CID 22989080

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESO=C(O)C(CCN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6/c15-8-1-2-9(16)13(8)6-5-7(12(19)20)14-10(17)3-4-11(14)18/h1-2,7H,3-6H2,(H,19,20)
InChIKeyHCILGDWKPMTTSN-UHFFFAOYSA-N
MW280.24 g/mol
LogP-1.10
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid (PubChem CID 22989080) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
PubChem CID22989080
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESO=C(O)C(CCN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H12N2O6/c15-8-1-2-9(16)13(8)6-5-7(12(19)20)14-10(17)3-4-11(14)18/h1-2,7H,3-6H2,(H,19,20)
InChIKeyHCILGDWKPMTTSN-UHFFFAOYSA-N
XLogP-1.10
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-1.10
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 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid (CID 22989080) is 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid is O=C(O)C(CCN1C(=O)C=CC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The InChIKey is HCILGDWKPMTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c15-8-1-2-9(16)13(8)6-5-7(12(19)20)14-10(17)3-4-11(14)18/h1-2,7H,3-6H2,(H,19,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid has a molecular weight of 280.24 g/mol, XLogP of -1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid is sourced from PubChem (CID 22989080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).