3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide

C8H13N3O3 — CID 106098925

IUPAC3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)N1C(=O)CNC1=O
InChIInChI=1S/C8H13N3O3/c1-8(2,3-5(9)12)11-6(13)4-10-7(11)14/h3-4H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyNYHBJXABRUANPX-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.81
Rot. Bonds3

About 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide

3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide (PubChem CID 106098925) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
PubChem CID106098925
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)N1C(=O)CNC1=O
InChIInChI=1S/C8H13N3O3/c1-8(2,3-5(9)12)11-6(13)4-10-7(11)14/h3-4H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyNYHBJXABRUANPX-UHFFFAOYSA-N
XLogP-0.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide (CID 106098925) is 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide is CC(C)(CC(N)=O)N1C(=O)CNC1=O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide?
The InChIKey is NYHBJXABRUANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-8(2,3-5(9)12)11-6(13)4-10-7(11)14/h3-4H2,1-2H3,(H2,9,12)(H,10,14).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide?
3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide has a molecular weight of 199.21 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106098925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).