ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate

C15H19F3N2O4 — CID 97219828

IUPACethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C15H19F3N2O4/c1-3-24-14(23)13(10-5-4-6-11(21)7-10)19-8-12(22)20(2)9-15(16,17)18/h4-7,13,19,21H,3,8-9H2,1-2H3/t13-/m1/s1
InChIKeyMECGQOBDYFEXNO-CYBMUJFWSA-N
MW348.32 g/mol
LogP1.61
Rot. Bonds7

About ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate

ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 97219828) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate
PubChem CID97219828
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Nameethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C15H19F3N2O4/c1-3-24-14(23)13(10-5-4-6-11(21)7-10)19-8-12(22)20(2)9-15(16,17)18/h4-7,13,19,21H,3,8-9H2,1-2H3/t13-/m1/s1
InChIKeyMECGQOBDYFEXNO-CYBMUJFWSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

ethyl (2R)-2-[[2-fluoro-6-(trifluoromethoxy)phenyl]methylamino]-2-(3-hydroxyphenyl)acetate
CID 100756781
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ethyl 2-(4-bromo-3-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 66480988
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl 3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 62396997
ethyl (2S)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-(3-hydroxyphenyl)acetate
CID 95786075
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate (CID 97219828) is ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate is CCOC(=O)[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(O)c1.
What is the InChIKey of ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is MECGQOBDYFEXNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-3-24-14(23)13(10-5-4-6-11(21)7-10)19-8-12(22)20(2)9-15(16,17)18/h4-7,13,19,21H,3,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate?
ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 348.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3-hydroxyphenyl)-2-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 97219828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).