(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate

C23H34N2O14 — CID 122473983

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate (PubChem CID 122473983) has the molecular formula C23H34N2O14 and a molecular weight of 562.53 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
• PubChem CID: 122473983
• Molecular Formula: C23H34N2O14
• Molecular Weight: 562.53 g/mol
• Exact Mass: 562.20
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
• SMILES: COCC(COC)(COCCCOC(=O)ON1C(=O)CCC1=O)COCCCOC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C23H34N2O14/c1-32-13-23(14-33-2,15-34-9-3-11-36-21(30)38-24-17(26)5-6-18(24)27)16-35-10-4-12-37-22(31)39-25-19(28)7-8-20(25)29/h3-16H2,1-2H3
• InChIKey: FKJUFIBSZIYQAM-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 182.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.53
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate (CID 122473983) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate is COCC(COC)(COCCCOC(=O)ON1C(=O)CCC1=O)COCCCOC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate?

The InChIKey is FKJUFIBSZIYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O14/c1-32-13-23(14-33-2,15-34-9-3-11-36-21(30)38-24-17(26)5-6-18(24)27)16-35-10-4-12-37-22(31)39-25-19(28)7-8-20(25)29/h3-16H2,1-2H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate has a molecular weight of 562.53 g/mol, XLogP of 0.51, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate is sourced from PubChem (CID 122473983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).