(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C31H38N2O11 — CID 89202897

About (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 89202897) has the molecular formula C31H38N2O11 and a molecular weight of 614.65 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
• PubChem CID: 89202897
• Molecular Formula: C31H38N2O11
• Molecular Weight: 614.65 g/mol
• Exact Mass: 614.25
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
• SMILES: O=C(COCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
• InChI: InChI=1S/C31H38N2O11/c34-28-9-10-29(35)33(28)44-30(36)22-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-32-31(37)43-21-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,27H,9-22H2,(H,32,37)
• InChIKey: SZNXPJUMCPWDTR-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 148.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.65
LogP ≤ 5	2.22
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-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 89202897) is (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is O=C(COCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

The InChIKey is SZNXPJUMCPWDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O11/c34-28-9-10-29(35)33(28)44-30(36)22-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-32-31(37)43-21-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,27H,9-22H2,(H,32,37).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?

(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 614.65 g/mol, XLogP of 2.22, 20 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-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 89202897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).