2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide

C16H22F3N3O5 — CID 167333931

IUPAC2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide
SMILESNC(=O)C1CC2OC([C@H](C[C@H]3CCNC3=O)C(=O)COC(F)(F)F)CC2N1
InChIInChI=1S/C16H22F3N3O5/c17-16(18,19)26-6-11(23)8(3-7-1-2-21-15(7)25)12-4-9-13(27-12)5-10(22-9)14(20)24/h7-10,12-13,22H,1-6H2,(H2,20,24)(H,21,25)/t7-,8-,9?,10?,12?,13?/m1/s1
InChIKeyUGTVLVYBXNXVJN-DCJFSGOWSA-N
MW393.36 g/mol
LogP-0.39
Rot. Bonds7

About 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide

2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 167333931) has the molecular formula C16H22F3N3O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID167333931
Molecular FormulaC16H22F3N3O5
Molecular Weight393.36 g/mol
Exact Mass393.15
IUPAC Name2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide
SMILESNC(=O)C1CC2OC([C@H](C[C@H]3CCNC3=O)C(=O)COC(F)(F)F)CC2N1
InChIInChI=1S/C16H22F3N3O5/c17-16(18,19)26-6-11(23)8(3-7-1-2-21-15(7)25)12-4-9-13(27-12)5-10(22-9)14(20)24/h7-10,12-13,22H,1-6H2,(H2,20,24)(H,21,25)/t7-,8-,9?,10?,12?,13?/m1/s1
InChIKeyUGTVLVYBXNXVJN-DCJFSGOWSA-N
XLogP-0.39
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

3-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-2-oxa-7-azaspiro[3.4]octane-6-carboxamide
CID 167333903
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537570
[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537571
[3-oxo-1-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537573
1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 167333819
2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-[(2S)-5,5,5-trifluoro-2-hydroxy-4-(trifluoromethyl)pentanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 167333811
(2S)-6-butanoyl-1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-1-azaspiro[3.3]heptane-2-carboxamide
CID 171108462
5-(2,2,3,3,4,4,5,5,5-nonadeuteriopentanoyl)-2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 167333880
3-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 167333895
N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 171108458
N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide
CID 166170210

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide (CID 167333931) is 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide is NC(=O)C1CC2OC([C@H](C[C@H]3CCNC3=O)C(=O)COC(F)(F)F)CC2N1.
What is the InChIKey of 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UGTVLVYBXNXVJN-DCJFSGOWSA-N. The full InChI is InChI=1S/C16H22F3N3O5/c17-16(18,19)26-6-11(23)8(3-7-1-2-21-15(7)25)12-4-9-13(27-12)5-10(22-9)14(20)24/h7-10,12-13,22H,1-6H2,(H2,20,24)(H,21,25)/t7-,8-,9?,10?,12?,13?/m1/s1.
What are the key properties of 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide?
2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 393.36 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 167333931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).