(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate

C15H25NO6 — CID 177234164

About (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate (PubChem CID 177234164) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate
• PubChem CID: 177234164
• Molecular Formula: C15H25NO6
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.17
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate
• SMILES: CC(C)(C)OCC(C)(C)OCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C15H25NO6/c1-14(2,3)21-10-15(4,5)20-9-8-13(19)22-16-11(17)6-7-12(16)18/h6-10H2,1-5H3
• InChIKey: GKJCFQNXTHPWOF-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate (CID 177234164) is (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate is CC(C)(C)OCC(C)(C)OCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate?

The InChIKey is GKJCFQNXTHPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-14(2,3)21-10-15(4,5)20-9-8-13(19)22-16-11(17)6-7-12(16)18/h6-10H2,1-5H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate has a molecular weight of 315.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropanoate is sourced from PubChem (CID 177234164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).