(2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate

C23H30N2O10 — CID 123483427

About (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 123483427) has the molecular formula C23H30N2O10 and a molecular weight of 494.50 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 123483427
• Molecular Formula: C23H30N2O10
• Molecular Weight: 494.50 g/mol
• Exact Mass: 494.19
• IUPAC Name: (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: O=C(CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)ON1CCCC1=O
• InChI: InChI=1S/C23H30N2O10/c26-20-6-3-8-24(20)35-21(27)7-9-30-10-11-31-12-13-32-14-15-33-16-17-34-25-22(28)18-4-1-2-5-19(18)23(25)29/h1-2,4-5H,3,6-17H2
• InChIKey: RPEBUICYOTUGLO-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 130.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.50
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 123483427) is (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)ON1CCCC1=O.

What is the InChIKey of (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is RPEBUICYOTUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O10/c26-20-6-3-8-24(20)35-21(27)7-9-30-10-11-31-12-13-32-14-15-33-16-17-34-25-22(28)18-4-1-2-5-19(18)23(25)29/h1-2,4-5H,3,6-17H2.

What are the key properties of (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate?

(2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 494.50 g/mol, XLogP of 0.75, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 123483427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).