2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid

C10H16N2O4 — CID 69015393

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid
SMILESCCCC(CC)(C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-3-5-10(4-2,8(14)15)12-6-7(13)11-9(12)16/h3-6H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyVLDIQQVDKDGOIK-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.57
Rot. Bonds5

About 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid

2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid (PubChem CID 69015393) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid
PubChem CID69015393
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid
SMILESCCCC(CC)(C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-3-5-10(4-2,8(14)15)12-6-7(13)11-9(12)16/h3-6H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyVLDIQQVDKDGOIK-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid (CID 69015393) is 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid is CCCC(CC)(C(=O)O)N1CC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid?
The InChIKey is VLDIQQVDKDGOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-5-10(4-2,8(14)15)12-6-7(13)11-9(12)16/h3-6H2,1-2H3,(H,14,15)(H,11,13,16).
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid?
2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-2-ethylpentanoic acid is sourced from PubChem (CID 69015393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).