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

C11H18N2O5 — CID 113463092

IUPAC3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)N1CCN(CC(C)(O)C(=O)O)C(=O)C1=O
InChIInChI=1S/C11H18N2O5/c1-7(2)13-5-4-12(8(14)9(13)15)6-11(3,18)10(16)17/h7,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyXORUKOQSMGEDCN-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.10
Rot. Bonds4

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

3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 113463092) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID113463092
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)N1CCN(CC(C)(O)C(=O)O)C(=O)C1=O
InChIInChI=1S/C11H18N2O5/c1-7(2)13-5-4-12(8(14)9(13)15)6-11(3,18)10(16)17/h7,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyXORUKOQSMGEDCN-UHFFFAOYSA-N
XLogP-1.10
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 113463092) is 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid is CC(C)N1CCN(CC(C)(O)C(=O)O)C(=O)C1=O.
What is the InChIKey of 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is XORUKOQSMGEDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(2)13-5-4-12(8(14)9(13)15)6-11(3,18)10(16)17/h7,18H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 258.27 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 113463092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).