ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate

C13H15F3N2O2 — CID 66329484

IUPACethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(c1cc(C(F)(F)F)ccn1)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-2-20-12(19)8-18(10-3-4-10)11-7-9(5-6-17-11)13(14,15)16/h5-7,10H,2-4,8H2,1H3
InChIKeyZPCSTDMGDBDZAN-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate

ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate (PubChem CID 66329484) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
PubChem CID66329484
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Nameethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(c1cc(C(F)(F)F)ccn1)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-2-20-12(19)8-18(10-3-4-10)11-7-9(5-6-17-11)13(14,15)16/h5-7,10H,2-4,8H2,1H3
InChIKeyZPCSTDMGDBDZAN-UHFFFAOYSA-N
XLogP2.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 66330875
ethyl 2-[(5-bromoisoquinolin-1-yl)-cyclopropylamino]acetate
CID 106541932
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136989680
ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate
CID 63618943
ethyl 4-oxo-4-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]butanoate
CID 91625429
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate (CID 66329484) is ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate is CCOC(=O)CN(c1cc(C(F)(F)F)ccn1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate?
The InChIKey is ZPCSTDMGDBDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-20-12(19)8-18(10-3-4-10)11-7-9(5-6-17-11)13(14,15)16/h5-7,10H,2-4,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate?
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate has a molecular weight of 288.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 66329484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).