2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N3O4 — CID 79258236

IUPAC2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)c1cncc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-20-9(19)6-2-14-3-7(15-6)16(4-8(17)18)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyLNVQYWUVLHXRNR-UHFFFAOYSA-N
MW293.20 g/mol
LogP0.72
Rot. Bonds5

About 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258236) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258236
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)c1cncc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-20-9(19)6-2-14-3-7(15-6)16(4-8(17)18)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyLNVQYWUVLHXRNR-UHFFFAOYSA-N
XLogP0.72
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258236) is 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is COC(=O)c1cncc(N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LNVQYWUVLHXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c1-20-9(19)6-2-14-3-7(15-6)16(4-8(17)18)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.20 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxycarbonylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).