2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid

C11H18N2O4 — CID 83042036

IUPAC2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-4-5-7(9(15)16)13-6-8(14)12-10(17)11(13,2)3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyJPZWCUDAJKOYBP-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds4

About 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid

2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid (PubChem CID 83042036) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid
PubChem CID83042036
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H18N2O4/c1-4-5-7(9(15)16)13-6-8(14)12-10(17)11(13,2)3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,17)
InChIKeyJPZWCUDAJKOYBP-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid (CID 83042036) is 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid?
The InChIKey is JPZWCUDAJKOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-5-7(9(15)16)13-6-8(14)12-10(17)11(13,2)3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid?
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 83042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).