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

C22H31N3O11 — CID 10142424

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

(2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate (PubChem CID 10142424) has the molecular formula C22H31N3O11 and a molecular weight of 513.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
• PubChem CID: 10142424
• Molecular Formula: C22H31N3O11
• Molecular Weight: 513.50 g/mol
• Exact Mass: 513.20
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate
• SMILES: O=C(COCC(=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/h3-4H,1-2,5-16H2,(H,23,26)
• InChIKey: FLVQSMUQVKWIRE-UHFFFAOYSA-N
• XLogP: -1.52
• TPSA: 167.08 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	513.50
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate (CID 10142424) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate.

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

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

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

The InChIKey is FLVQSMUQVKWIRE-UHFFFAOYSA-N. 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/h3-4H,1-2,5-16H2,(H,23,26).

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

(2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate has a molecular weight of 513.50 g/mol, XLogP of -1.52, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetate is sourced from PubChem (CID 10142424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).