(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid

C11H15F3N2O4 — CID 59925950

IUPAC(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O4/c1-5(2)4-6(7(17)18)16-8(19)10(3,11(12,13)14)15-9(16)20/h5-6H,4H2,1-3H3,(H,15,20)(H,17,18)/t6-,10?/m0/s1
InChIKeyVXMRKQHNHPXEDB-UOQJWNSWSA-N
MW296.25 g/mol
LogP1.36
Rot. Bonds4

About (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid

(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid (PubChem CID 59925950) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid
PubChem CID59925950
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H15F3N2O4/c1-5(2)4-6(7(17)18)16-8(19)10(3,11(12,13)14)15-9(16)20/h5-6H,4H2,1-3H3,(H,15,20)(H,17,18)/t6-,10?/m0/s1
InChIKeyVXMRKQHNHPXEDB-UOQJWNSWSA-N
XLogP1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic 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 (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid (CID 59925950) is (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid is CC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid?
The InChIKey is VXMRKQHNHPXEDB-UOQJWNSWSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c1-5(2)4-6(7(17)18)16-8(19)10(3,11(12,13)14)15-9(16)20/h5-6H,4H2,1-3H3,(H,15,20)(H,17,18)/t6-,10?/m0/s1.
What are the key properties of (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid?
(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid has a molecular weight of 296.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid is sourced from PubChem (CID 59925950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).