[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate

C14H18N2O8Se — CID 122360676

IUPAC[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate
SMILESCCC(=O)O[Se](OC(=O)CC)(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O8Se/c1-3-13(21)23-25(24-14(22)4-2,15-9(17)5-6-10(15)18)16-11(19)7-8-12(16)20/h3-8H2,1-2H3
InChIKeyGVWGCLONMAHVOL-UHFFFAOYSA-N
MW421.26 g/mol
LogP-0.37
Rot. Bonds6

About [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate

[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate (PubChem CID 122360676) has the molecular formula C14H18N2O8Se and a molecular weight of 421.26 g/mol. Its IUPAC name is [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate.

Molecular Properties

Compound Name[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate
PubChem CID122360676
Molecular FormulaC14H18N2O8Se
Molecular Weight421.26 g/mol
Exact Mass422.02
IUPAC Name[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate
SMILESCCC(=O)O[Se](OC(=O)CC)(N1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C14H18N2O8Se/c1-3-13(21)23-25(24-14(22)4-2,15-9(17)5-6-10(15)18)16-11(19)7-8-12(16)20/h3-8H2,1-2H3
InChIKeyGVWGCLONMAHVOL-UHFFFAOYSA-N
XLogP-0.37
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate?
The IUPAC name of [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate (CID 122360676) is [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate.
What is the SMILES notation for [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate?
The canonical SMILES for [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate is CCC(=O)O[Se](OC(=O)CC)(N1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate?
The InChIKey is GVWGCLONMAHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O8Se/c1-3-13(21)23-25(24-14(22)4-2,15-9(17)5-6-10(15)18)16-11(19)7-8-12(16)20/h3-8H2,1-2H3.
What are the key properties of [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate?
[bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate has a molecular weight of 421.26 g/mol, XLogP of -0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2,5-dioxopyrrolidin-1-yl)-propanoyloxy-λ4-selanyl] propanoate is sourced from PubChem (CID 122360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).