(2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate

C24H35N3O8 — CID 143485621

About (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate (PubChem CID 143485621) has the molecular formula C24H35N3O8 and a molecular weight of 493.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate
• PubChem CID: 143485621
• Molecular Formula: C24H35N3O8
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.24
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate
• SMILES: CCC(C)(CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O)CC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C24H35N3O8/c1-5-24(4,16-22(33)35-27-20(31)8-9-21(27)32)12-15-34-23(2,3)11-13-25-17(28)10-14-26-18(29)6-7-19(26)30/h6-7H,5,8-16H2,1-4H3,(H,25,28)
• InChIKey: VBUAGUBTZOREFB-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 139.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	1.41
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) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate (CID 143485621) is (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate is CCC(C)(CCOC(C)(C)CCNC(=O)CCN1C(=O)C=CC1=O)CC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate?

The InChIKey is VBUAGUBTZOREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O8/c1-5-24(4,16-22(33)35-27-20(31)8-9-21(27)32)12-15-34-23(2,3)11-13-25-17(28)10-14-26-18(29)6-7-19(26)30/h6-7H,5,8-16H2,1-4H3,(H,25,28).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate?

(2,5-dioxopyrrolidin-1-yl) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate has a molecular weight of 493.56 g/mol, XLogP of 1.41, 14 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) 5-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-3-ethyl-3-methylpentanoate is sourced from PubChem (CID 143485621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).