4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid

C14H22N2O6 — CID 22122241

IUPAC4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1=O
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-11(19)9-16-8-7-15(12(20)13(16)21)6-4-5-10(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyMZPZRCSRRVCOKT-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.14
Rot. Bonds6

About 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid

4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid (PubChem CID 22122241) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid
PubChem CID22122241
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1=O
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-11(19)9-16-8-7-15(12(20)13(16)21)6-4-5-10(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKeyMZPZRCSRRVCOKT-UHFFFAOYSA-N
XLogP-0.14
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic 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 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid (CID 22122241) is 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid is CC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1=O.
What is the InChIKey of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid?
The InChIKey is MZPZRCSRRVCOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-14(2,3)22-11(19)9-16-8-7-15(12(20)13(16)21)6-4-5-10(17)18/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid?
4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid has a molecular weight of 314.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,3-dioxopiperazin-1-yl]butanoic acid is sourced from PubChem (CID 22122241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).