methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate

C16H17F3N2O6 — CID 139000528

IUPACmethyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
SMILESCOC(=O)COCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C16H17F3N2O6/c1-25-14(23)9-26-8-13(22)20-12-5-6-21(15(12)24)10-3-2-4-11(7-10)27-16(17,18)19/h2-4,7,12H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyAAYOQVHLQYPCIC-UHFFFAOYSA-N
MW390.31 g/mol
LogP1.00
Rot. Bonds7

About methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate

methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate (PubChem CID 139000528) has the molecular formula C16H17F3N2O6 and a molecular weight of 390.31 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
PubChem CID139000528
Molecular FormulaC16H17F3N2O6
Molecular Weight390.31 g/mol
Exact Mass390.10
IUPAC Namemethyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate
SMILESCOC(=O)COCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C16H17F3N2O6/c1-25-14(23)9-26-8-13(22)20-12-5-6-21(15(12)24)10-3-2-4-11(7-10)27-16(17,18)19/h2-4,7,12H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyAAYOQVHLQYPCIC-UHFFFAOYSA-N
XLogP1.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide;oxalic acid
CID 16246810
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-(trifluoroacetyl)piperazin-2-yl]acetamide
CID 2969220
N-[(S)-1-(3-Methoxy-phenyl)-pyrrolidin-3-yl]-butyramide
CID 25270146
1-(3-Methoxyphenyl)-3-((4-morpholinophenyl)amino)pyrrolidine-2,5-dione
CID 3149577
2-(4-methoxyphenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16032593
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 16032661
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-fluorophenoxy)acetamide
CID 16032718
3-(2-{3-[(3,4-Dimethoxyphenyl)amino]-1-piperidinyl}-2-oxoethyl)-1,3-oxazolidin-2-one
CID 24794303
[2-(3-Methoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 25163838
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 4194325
N1-(3-methoxyphenyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 7541565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate?
The IUPAC name of methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate (CID 139000528) is methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate is COC(=O)COCC(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate?
The InChIKey is AAYOQVHLQYPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O6/c1-25-14(23)9-26-8-13(22)20-12-5-6-21(15(12)24)10-3-2-4-11(7-10)27-16(17,18)19/h2-4,7,12H,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate?
methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate has a molecular weight of 390.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-[[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]ethoxy]acetate is sourced from PubChem (CID 139000528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).