2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H14F3N3O3 — CID 79258823

IUPAC2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)n1ccnc(N(CC(=O)O)CC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c1-7(2)17-4-3-15-9(10(17)20)16(5-8(18)19)6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19)
InChIKeyROFWEDDBMIDWLG-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.28
Rot. Bonds5

About 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258823) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258823
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)n1ccnc(N(CC(=O)O)CC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3N3O3/c1-7(2)17-4-3-15-9(10(17)20)16(5-8(18)19)6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19)
InChIKeyROFWEDDBMIDWLG-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258823) is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)n1ccnc(N(CC(=O)O)CC(F)(F)F)c1=O.
What is the InChIKey of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ROFWEDDBMIDWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-7(2)17-4-3-15-9(10(17)20)16(5-8(18)19)6-11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).