ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate

C16H20F6N2O8 — CID 23236194

IUPACethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(C1NC(=O)[C@@H]([C@H](C(=O)OCC)[C@@H](O)C(F)(F)F)NC1=O)C(O)C(F)(F)F
InChIInChI=1S/C16H20F6N2O8/c1-3-31-13(29)5(9(25)15(17,18)19)7-11(27)24-8(12(28)23-7)6(14(30)32-4-2)10(26)16(20,21)22/h5-10,25-26H,3-4H2,1-2H3,(H,23,28)(H,24,27)/t5-,6?,7+,8?,9+,10?/m0/s1
InChIKeySJLUFPZXFZEZJO-CNEXAIPUSA-N
MW482.33 g/mol
LogP-0.83
Rot. Bonds8

About ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate

ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate (PubChem CID 23236194) has the molecular formula C16H20F6N2O8 and a molecular weight of 482.33 g/mol. Its IUPAC name is ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate
PubChem CID23236194
Molecular FormulaC16H20F6N2O8
Molecular Weight482.33 g/mol
Exact Mass482.11
IUPAC Nameethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(C1NC(=O)[C@@H]([C@H](C(=O)OCC)[C@@H](O)C(F)(F)F)NC1=O)C(O)C(F)(F)F
InChIInChI=1S/C16H20F6N2O8/c1-3-31-13(29)5(9(25)15(17,18)19)7-11(27)24-8(12(28)23-7)6(14(30)32-4-2)10(26)16(20,21)22/h5-10,25-26H,3-4H2,1-2H3,(H,23,28)(H,24,27)/t5-,6?,7+,8?,9+,10?/m0/s1
InChIKeySJLUFPZXFZEZJO-CNEXAIPUSA-N
XLogP-0.83
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
ethyl (2R,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 7154340
ethyl (2S,3S)-3-amino-2-cyclohexyl-4,4,4-trifluorobutanoate
CID 151431520
ethyl (3R)-3-amino-2,4,4,4-tetrafluorobutanoate
CID 171247408
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
CID 143803967
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
ethyl 4-methyl-2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 132839216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate (CID 23236194) is ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate is CCOC(=O)C(C1NC(=O)[C@@H]([C@H](C(=O)OCC)[C@@H](O)C(F)(F)F)NC1=O)C(O)C(F)(F)F.
What is the InChIKey of ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate?
The InChIKey is SJLUFPZXFZEZJO-CNEXAIPUSA-N. The full InChI is InChI=1S/C16H20F6N2O8/c1-3-31-13(29)5(9(25)15(17,18)19)7-11(27)24-8(12(28)23-7)6(14(30)32-4-2)10(26)16(20,21)22/h5-10,25-26H,3-4H2,1-2H3,(H,23,28)(H,24,27)/t5-,6?,7+,8?,9+,10?/m0/s1.
What are the key properties of ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate?
ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate has a molecular weight of 482.33 g/mol, XLogP of -0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5R)-5-[(2S,3R)-1-ethoxy-4,4,4-trifluoro-3-hydroxy-1-oxobutan-2-yl]-3,6-dioxopiperazin-2-yl]-4,4,4-trifluoro-3-hydroxybutanoate is sourced from PubChem (CID 23236194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).