2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid

C11H18N2O6 — CID 129074256

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid
SMILESCC(C)(C)OC(=O)N1CCNCC1OC(=O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-11(2,3)19-10(17)13-5-4-12-6-7(13)18-9(16)8(14)15/h7,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyLBEJDGHHOZCSOI-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.22
Rot. Bonds1

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid (PubChem CID 129074256) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid
PubChem CID129074256
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid
SMILESCC(C)(C)OC(=O)N1CCNCC1OC(=O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-11(2,3)19-10(17)13-5-4-12-6-7(13)18-9(16)8(14)15/h7,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyLBEJDGHHOZCSOI-UHFFFAOYSA-N
XLogP-0.22
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid (CID 129074256) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid is CC(C)(C)OC(=O)N1CCNCC1OC(=O)C(=O)O.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid?
The InChIKey is LBEJDGHHOZCSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-11(2,3)19-10(17)13-5-4-12-6-7(13)18-9(16)8(14)15/h7,12H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]oxy-2-oxoacetic acid is sourced from PubChem (CID 129074256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).