2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid

C12H19NO4 — CID 114991230

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c1-3-7-12(8-4-2,11(16)17)13-9(14)5-6-10(13)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyZHNJOKSLKWOANY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.56
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid (PubChem CID 114991230) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid
PubChem CID114991230
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c1-3-7-12(8-4-2,11(16)17)13-9(14)5-6-10(13)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyZHNJOKSLKWOANY-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid (CID 114991230) is 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid is CCCC(CCC)(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid?
The InChIKey is ZHNJOKSLKWOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-7-12(8-4-2,11(16)17)13-9(14)5-6-10(13)15/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-2-propylpentanoic acid is sourced from PubChem (CID 114991230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).