3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid

C10H10F3N3O4 — CID 79798284

IUPAC3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCOC(=O)c1cncc(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-9(8(18)19,10(11,12)13)16-6-4-14-3-5(15-6)7(17)20-2/h3-4H,1-2H3,(H,15,16)(H,18,19)
InChIKeyHEDOXTLLTAJDEV-UHFFFAOYSA-N
MW293.20 g/mol
LogP1.08
Rot. Bonds4

About 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 79798284) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID79798284
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCOC(=O)c1cncc(NC(C)(C(=O)O)C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-9(8(18)19,10(11,12)13)16-6-4-14-3-5(15-6)7(17)20-2/h3-4H,1-2H3,(H,15,16)(H,18,19)
InChIKeyHEDOXTLLTAJDEV-UHFFFAOYSA-N
XLogP1.08
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid (CID 79798284) is 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid is COC(=O)c1cncc(NC(C)(C(=O)O)C(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is HEDOXTLLTAJDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c1-9(8(18)19,10(11,12)13)16-6-4-14-3-5(15-6)7(17)20-2/h3-4H,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 293.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(6-methoxycarbonylpyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79798284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).