(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate

C24H33N3O7 — CID 126695342

About (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate

(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate (PubChem CID 126695342) has the molecular formula C24H33N3O7 and a molecular weight of 475.54 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate
• PubChem CID: 126695342
• Molecular Formula: C24H33N3O7
• Molecular Weight: 475.54 g/mol
• Exact Mass: 475.23
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate
• SMILES: CC(C)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1
• InChI: InChI=1S/C24H33N3O7/c1-23(2,22(33)34-27-19(30)11-12-20(27)31)14-24(3,4)25-21(32)16-7-5-15(6-8-16)13-26-17(28)9-10-18(26)29/h9-10,15-16H,5-8,11-14H2,1-4H3,(H,25,32)
• InChIKey: DPTSJJRZIPDLDL-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 130.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.54
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate (CID 126695342) is (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate is CC(C)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)NC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate?

The InChIKey is DPTSJJRZIPDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O7/c1-23(2,22(33)34-27-19(30)11-12-20(27)31)14-24(3,4)25-21(32)16-7-5-15(6-8-16)13-26-17(28)9-10-18(26)29/h9-10,15-16H,5-8,11-14H2,1-4H3,(H,25,32).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate?

(2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate has a molecular weight of 475.54 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2,2,4-trimethylpentanoate is sourced from PubChem (CID 126695342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).