2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid

C8H11F3N2O3 — CID 84800360

IUPAC2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O3/c1-5(6(14)15)13-3-2-12(7(13)16)4-8(9,10)11/h5H,2-4H2,1H3,(H,14,15)
InChIKeyWFYNJVZXBPMCCZ-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid

2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid (PubChem CID 84800360) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
PubChem CID84800360
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C8H11F3N2O3/c1-5(6(14)15)13-3-2-12(7(13)16)4-8(9,10)11/h5H,2-4H2,1H3,(H,14,15)
InChIKeyWFYNJVZXBPMCCZ-UHFFFAOYSA-N
XLogP0.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid (CID 84800360) is 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The InChIKey is WFYNJVZXBPMCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-5(6(14)15)13-3-2-12(7(13)16)4-8(9,10)11/h5H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid has a molecular weight of 240.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 84800360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).