2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid

C11H18N2O4 — CID 21061921

IUPAC2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid
SMILESCC(C)N1CCN(C(C)(C)C(=O)O)C(=O)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(2)12-5-6-13(9(15)8(12)14)11(3,4)10(16)17/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyGAIRGOOIZVLTAJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.07
Rot. Bonds3

About 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid

2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid (PubChem CID 21061921) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid
PubChem CID21061921
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid
SMILESCC(C)N1CCN(C(C)(C)C(=O)O)C(=O)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(2)12-5-6-13(9(15)8(12)14)11(3,4)10(16)17/h7H,5-6H2,1-4H3,(H,16,17)
InChIKeyGAIRGOOIZVLTAJ-UHFFFAOYSA-N
XLogP-0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid (CID 21061921) is 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid is CC(C)N1CCN(C(C)(C)C(=O)O)C(=O)C1=O.
What is the InChIKey of 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid?
The InChIKey is GAIRGOOIZVLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)12-5-6-13(9(15)8(12)14)11(3,4)10(16)17/h7H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid?
2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 21061921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).