(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate

C21H29N3O8 — CID 162756571

About (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate

(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate (PubChem CID 162756571) has the molecular formula C21H29N3O8 and a molecular weight of 451.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate
• PubChem CID: 162756571
• Molecular Formula: C21H29N3O8
• Molecular Weight: 451.48 g/mol
• Exact Mass: 451.20
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate
• SMILES: CC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)C(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C21H29N3O8/c1-20(2,11-22-14(25)9-10-23-15(26)5-6-16(23)27)12-31-13-21(3,4)19(30)32-24-17(28)7-8-18(24)29/h5-6H,7-13H2,1-4H3,(H,22,25)
• InChIKey: GKFSAZADQXTKGJ-UHFFFAOYSA-N
• XLogP: 0.09
• TPSA: 139.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate (CID 162756571) is (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate is CC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)C(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate?

The InChIKey is GKFSAZADQXTKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O8/c1-20(2,11-22-14(25)9-10-23-15(26)5-6-16(23)27)12-31-13-21(3,4)19(30)32-24-17(28)7-8-18(24)29/h5-6H,7-13H2,1-4H3,(H,22,25).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate has a molecular weight of 451.48 g/mol, XLogP of 0.09, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 162756571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).