2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide

C10H14N2O5 — CID 18921424

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide
SMILESO=CCC(C(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c13-5-3-7(10(17)11-4-6-14)12-8(15)1-2-9(12)16/h5,7,14H,1-4,6H2,(H,11,17)
InChIKeyWUMWKKWRPYBOSY-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.80
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide (PubChem CID 18921424) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide
PubChem CID18921424
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide
SMILESO=CCC(C(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c13-5-3-7(10(17)11-4-6-14)12-8(15)1-2-9(12)16/h5,7,14H,1-4,6H2,(H,11,17)
InChIKeyWUMWKKWRPYBOSY-UHFFFAOYSA-N
XLogP-1.80
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-N-(2-hydroxyethyl)-4-oxobutanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide (CID 18921424) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide is O=CCC(C(=O)NCCO)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide?
The InChIKey is WUMWKKWRPYBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-5-3-7(10(17)11-4-6-14)12-8(15)1-2-9(12)16/h5,7,14H,1-4,6H2,(H,11,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide has a molecular weight of 242.23 g/mol, XLogP of -1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)-4-oxobutanamide is sourced from PubChem (CID 18921424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).