3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid

C12H13F3N2O3 — CID 68750730

IUPAC3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid
SMILESO=C(O)C(CC1CCC1)n1cc(C(F)(F)F)ncc1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-6-17(10(18)5-16-9)8(11(19)20)4-7-2-1-3-7/h5-8H,1-4H2,(H,19,20)
InChIKeyIKOPDVPFJAEMHT-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.08
Rot. Bonds4

About 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid

3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid (PubChem CID 68750730) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid
PubChem CID68750730
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid
SMILESO=C(O)C(CC1CCC1)n1cc(C(F)(F)F)ncc1=O
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)9-6-17(10(18)5-16-9)8(11(19)20)4-7-2-1-3-7/h5-8H,1-4H2,(H,19,20)
InChIKeyIKOPDVPFJAEMHT-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-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 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid?
The IUPAC name of 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid (CID 68750730) is 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid?
The canonical SMILES for 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid is O=C(O)C(CC1CCC1)n1cc(C(F)(F)F)ncc1=O.
What is the InChIKey of 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid?
The InChIKey is IKOPDVPFJAEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)9-6-17(10(18)5-16-9)8(11(19)20)4-7-2-1-3-7/h5-8H,1-4H2,(H,19,20).
What are the key properties of 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid?
3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid has a molecular weight of 290.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanoic acid is sourced from PubChem (CID 68750730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).