1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate

C22H30N3O11- — CID 72513124

About 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate

1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate (PubChem CID 72513124) has the molecular formula C22H30N3O11- and a molecular weight of 512.49 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate.

Molecular Properties

• Compound Name: 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate
• PubChem CID: 72513124
• Molecular Formula: C22H30N3O11-
• Molecular Weight: 512.49 g/mol
• Exact Mass: 512.19
• IUPAC Name: 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate
• SMILES: O=C(COC=C([O-])ON1C(=O)CCC1=O)NCCCOCCOCCOCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C22H31N3O11/c26-17(15-35-16-22(31)36-25-20(29)5-6-21(25)30)23-7-1-9-32-11-13-34-14-12-33-10-2-8-24-18(27)3-4-19(24)28/h3-4,16,31H,1-2,5-15H2,(H,23,26)/p-1
• InChIKey: WXZAJXPYMKQKMW-UHFFFAOYSA-M
• XLogP: -1.89
• TPSA: 173.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.49
LogP ≤ 5	-1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate?

The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate (CID 72513124) is 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate.

What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate?

The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate is O=C(COC=C([O-])ON1C(=O)CCC1=O)NCCCOCCOCCOCCCN1C(=O)C=CC1=O.

What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate?

The InChIKey is WXZAJXPYMKQKMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H31N3O11/c26-17(15-35-16-22(31)36-25-20(29)5-6-21(25)30)23-7-1-9-32-11-13-34-14-12-33-10-2-8-24-18(27)3-4-19(24)28/h3-4,16,31H,1-2,5-15H2,(H,23,26)/p-1.

What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate?

1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate has a molecular weight of 512.49 g/mol, XLogP of -1.89, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dioxopyrrolidin-1-yl)oxy-2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]ethenolate is sourced from PubChem (CID 72513124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).