methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate

C11H11F3N2O4 — CID 39040360

IUPACmethyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H11F3N2O4/c1-20-9(18)5-15-8(17)6-16-4-2-3-7(10(16)19)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyRPFMDTMHHINHIL-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.16
Rot. Bonds4

About methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate

methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate (PubChem CID 39040360) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate
PubChem CID39040360
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H11F3N2O4/c1-20-9(18)5-15-8(17)6-16-4-2-3-7(10(16)19)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyRPFMDTMHHINHIL-UHFFFAOYSA-N
XLogP0.16
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate (CID 39040360) is methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate?
The InChIKey is RPFMDTMHHINHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-20-9(18)5-15-8(17)6-16-4-2-3-7(10(16)19)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate?
methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate has a molecular weight of 292.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetate is sourced from PubChem (CID 39040360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).