2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid

C8H9F3N2O4 — CID 86707727

IUPAC2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O4/c1-7(2-4(14)15)5(16)13(6(17)12-7)3-8(9,10)11/h2-3H2,1H3,(H,12,17)(H,14,15)
InChIKeyVTGVLUOZSFDDRO-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.33
Rot. Bonds3

About 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid

2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid (PubChem CID 86707727) has the molecular formula C8H9F3N2O4 and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid
PubChem CID86707727
Molecular FormulaC8H9F3N2O4
Molecular Weight254.16 g/mol
Exact Mass254.05
IUPAC Name2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O4/c1-7(2-4(14)15)5(16)13(6(17)12-7)3-8(9,10)11/h2-3H2,1H3,(H,12,17)(H,14,15)
InChIKeyVTGVLUOZSFDDRO-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357443
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
2-[4-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 22993673
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
CID 79630523
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
3-[2-(bromomethyl)-2-propylpentyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 65006513
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370446
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid (CID 86707727) is 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid is CC1(CC(=O)O)NC(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid?
The InChIKey is VTGVLUOZSFDDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O4/c1-7(2-4(14)15)5(16)13(6(17)12-7)3-8(9,10)11/h2-3H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid?
2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid has a molecular weight of 254.16 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid is sourced from PubChem (CID 86707727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).