tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate

C22H27F3N2O6 — CID 70225398

IUPACtert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate
SMILESCCO[C@@H](C(=O)OC(C)(C)C)C1OCCN(c2ccc3c(c2)C(=O)N(CC(F)(F)F)C3)C1=O
InChIInChI=1S/C22H27F3N2O6/c1-5-31-17(20(30)33-21(2,3)4)16-19(29)27(8-9-32-16)14-7-6-13-11-26(12-22(23,24)25)18(28)15(13)10-14/h6-7,10,16-17H,5,8-9,11-12H2,1-4H3/t16?,17-/m1/s1
InChIKeyMTCNYRHLHJEQEW-ZYMOGRSISA-N
MW472.46 g/mol
LogP2.68
Rot. Bonds6

About tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate

tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate (PubChem CID 70225398) has the molecular formula C22H27F3N2O6 and a molecular weight of 472.46 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate
PubChem CID70225398
Molecular FormulaC22H27F3N2O6
Molecular Weight472.46 g/mol
Exact Mass472.18
IUPAC Nametert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate
SMILESCCO[C@@H](C(=O)OC(C)(C)C)C1OCCN(c2ccc3c(c2)C(=O)N(CC(F)(F)F)C3)C1=O
InChIInChI=1S/C22H27F3N2O6/c1-5-31-17(20(30)33-21(2,3)4)16-19(29)27(8-9-32-16)14-7-6-13-11-26(12-22(23,24)25)18(28)15(13)10-14/h6-7,10,16-17H,5,8-9,11-12H2,1-4H3/t16?,17-/m1/s1
InChIKeyMTCNYRHLHJEQEW-ZYMOGRSISA-N
XLogP2.68
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-oxomorpholin-2-yl]acetate
CID 67222320
tert-butyl 2-acetyloxy-2-[(2R)-4-[3,5-bis(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 87243623
[(1R)-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-isocyanoanilino]-1-[(2R)-4-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 58290578
tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(6-fluoro-3-pyridinyl)-3-oxomorpholin-2-yl]acetate
CID 58181614
methyl 3-[(2R)-2-[(1R)-1-acetyloxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 58181770
tert-butyl (2R)-2-acetyloxy-2-[(2R)-4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]acetate
CID 58181967
tert-butyl 2-hydroxy-2-[4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 76717019
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58181511
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059
(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid
CID 67223125

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate (CID 70225398) is tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate is CCO[C@@H](C(=O)OC(C)(C)C)C1OCCN(c2ccc3c(c2)C(=O)N(CC(F)(F)F)C3)C1=O.
What is the InChIKey of tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate?
The InChIKey is MTCNYRHLHJEQEW-ZYMOGRSISA-N. The full InChI is InChI=1S/C22H27F3N2O6/c1-5-31-17(20(30)33-21(2,3)4)16-19(29)27(8-9-32-16)14-7-6-13-11-26(12-22(23,24)25)18(28)15(13)10-14/h6-7,10,16-17H,5,8-9,11-12H2,1-4H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate?
tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate has a molecular weight of 472.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate is sourced from PubChem (CID 70225398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).