1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

C11H16N4O4 — CID 80594073

IUPAC1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCC1CC(C(=O)N2CC(=O)NC(=O)C2)(C(N)=NO)C1
InChIInChI=1S/C11H16N4O4/c1-6-2-11(3-6,9(12)14-19)10(18)15-4-7(16)13-8(17)5-15/h6,19H,2-5H2,1H3,(H2,12,14)(H,13,16,17)
InChIKeyLBLYEHUFBXGTKD-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.37
Rot. Bonds2

About 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (PubChem CID 80594073) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
PubChem CID80594073
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCC1CC(C(=O)N2CC(=O)NC(=O)C2)(C(N)=NO)C1
InChIInChI=1S/C11H16N4O4/c1-6-2-11(3-6,9(12)14-19)10(18)15-4-7(16)13-8(17)5-15/h6,19H,2-5H2,1H3,(H2,12,14)(H,13,16,17)
InChIKeyLBLYEHUFBXGTKD-UHFFFAOYSA-N
XLogP-1.37
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (CID 80594073) is 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.
What is the SMILES notation for 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The canonical SMILES for 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is CC1CC(C(=O)N2CC(=O)NC(=O)C2)(C(N)=NO)C1.
What is the InChIKey of 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The InChIKey is LBLYEHUFBXGTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-2-11(3-6,9(12)14-19)10(18)15-4-7(16)13-8(17)5-15/h6,19H,2-5H2,1H3,(H2,12,14)(H,13,16,17).
What are the key properties of 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide has a molecular weight of 268.27 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is sourced from PubChem (CID 80594073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).