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

C9H13F3N2O3 — CID 84804703

IUPAC2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(CN1CCN(CC(F)(F)F)C1=O)C(=O)O
InChIInChI=1S/C9H13F3N2O3/c1-6(7(15)16)4-13-2-3-14(8(13)17)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyDAZZUVVIFKLOCH-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.01
Rot. Bonds4

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

2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid (PubChem CID 84804703) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
PubChem CID84804703
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
SMILESCC(CN1CCN(CC(F)(F)F)C1=O)C(=O)O
InChIInChI=1S/C9H13F3N2O3/c1-6(7(15)16)4-13-2-3-14(8(13)17)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyDAZZUVVIFKLOCH-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid (CID 84804703) is 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid is CC(CN1CCN(CC(F)(F)F)C1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
The InChIKey is DAZZUVVIFKLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-6(7(15)16)4-13-2-3-14(8(13)17)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid?
2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid has a molecular weight of 254.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 84804703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).