(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid

C24H32N4O20S — CID 159021328

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid (PubChem CID 159021328) has the molecular formula C24H32N4O20S and a molecular weight of 728.59 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid
• PubChem CID: 159021328
• Molecular Formula: C24H32N4O20S
• Molecular Weight: 728.59 g/mol
• Exact Mass: 728.13
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid
• SMILES: O=C(COCOCCOON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1OOCCOCOCC(=O)N1CC1S(=O)(=O)O
• InChI: InChI=1S/C13H16N2O10.C11H16N2O10S/c16-9-1-2-10(17)14(9)24-13(20)7-22-8-21-5-6-23-25-15-11(18)3-4-12(15)19;14-8-1-2-9(15)13(8)23-22-4-3-20-7-21-6-10(16)12-5-11(12)24(17,18)19/h1-8H2;11H,1-7H2,(H,17,18,19)
• InChIKey: JTSVZVHUVKOJGA-UHFFFAOYSA-N
• XLogP: -3.36
• TPSA: 286.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.59
LogP ≤ 5	-3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid (CID 159021328) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid is O=C(COCOCCOON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C1CCC(=O)N1OOCCOCOCC(=O)N1CC1S(=O)(=O)O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid?

The InChIKey is JTSVZVHUVKOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O10.C11H16N2O10S/c16-9-1-2-10(17)14(9)24-13(20)7-22-8-21-5-6-23-25-15-11(18)3-4-12(15)19;14-8-1-2-9(15)13(8)23-22-4-3-20-7-21-6-10(16)12-5-11(12)24(17,18)19/h1-8H2;11H,1-7H2,(H,17,18,19).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid?

(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid has a molecular weight of 728.59 g/mol, XLogP of -3.36, 20 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetate;1-[2-[2-(2,5-dioxopyrrolidin-1-yl)peroxyethoxymethoxy]acetyl]aziridine-2-sulfonic acid is sourced from PubChem (CID 159021328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).