2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid

C10H13F3N2O4 — CID 79629967

IUPAC2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)O
InChIInChI=1S/C10H13F3N2O4/c1-8(2,6(17)18)4-15-5(16)9(3,10(11,12)13)14-7(15)19/h4H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAIHNIZXPEXMMFX-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.97
Rot. Bonds3

About 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid

2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid (PubChem CID 79629967) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
PubChem CID79629967
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)O
InChIInChI=1S/C10H13F3N2O4/c1-8(2,6(17)18)4-15-5(16)9(3,10(11,12)13)14-7(15)19/h4H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAIHNIZXPEXMMFX-UHFFFAOYSA-N
XLogP0.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic 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-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid (CID 79629967) is 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid is CC(C)(CN1C(=O)NC(C)(C(F)(F)F)C1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
The InChIKey is AIHNIZXPEXMMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c1-8(2,6(17)18)4-15-5(16)9(3,10(11,12)13)14-7(15)19/h4H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid?
2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid has a molecular weight of 282.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 79629967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).