2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C23H32F3N3O6 — CID 175537376

IUPAC2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESO=C1NCCC1CC(NC(=O)C1C2CCCC2CN1C(=O)[C@H](O)CC1CC1)C(=O)COC(F)(F)F
InChIInChI=1S/C23H32F3N3O6/c24-23(25,26)35-11-18(31)16(9-13-6-7-27-20(13)32)28-21(33)19-15-3-1-2-14(15)10-29(19)22(34)17(30)8-12-4-5-12/h12-17,19,30H,1-11H2,(H,27,32)(H,28,33)/t13?,14?,15?,16?,17-,19?/m1/s1
InChIKeySOTSFIHROIJAGZ-CMPFZWEDSA-N
MW503.52 g/mol
LogP0.89
Rot. Bonds10

About 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 175537376) has the molecular formula C23H32F3N3O6 and a molecular weight of 503.52 g/mol. Its IUPAC name is 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID175537376
Molecular FormulaC23H32F3N3O6
Molecular Weight503.52 g/mol
Exact Mass503.22
IUPAC Name2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESO=C1NCCC1CC(NC(=O)C1C2CCCC2CN1C(=O)[C@H](O)CC1CC1)C(=O)COC(F)(F)F
InChIInChI=1S/C23H32F3N3O6/c24-23(25,26)35-11-18(31)16(9-13-6-7-27-20(13)32)28-21(33)19-15-3-1-2-14(15)10-29(19)22(34)17(30)8-12-4-5-12/h12-17,19,30H,1-11H2,(H,27,32)(H,28,33)/t13?,14?,15?,16?,17-,19?/m1/s1
InChIKeySOTSFIHROIJAGZ-CMPFZWEDSA-N
XLogP0.89
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

2-[(2R)-2-hydroxy-4-methylpentanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175537496
(3S,3aS,6aR)-2-[(2S)-2-hydroxy-2-phenylacetyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166170395
2-[2-(tert-butylamino)-2-oxoacetyl]-N-[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166169834
(3S,3aS,6aR)-2-[2-(2,2-difluoroethylamino)-2-oxoacetyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166170736
(3S,3aS,6aR)-2-[2-(2-chlorophenyl)-2-hydroxyacetyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166170468
(3S,3aS,6aR)-2-[2-[(1-methylcyclopropyl)amino]-2-oxoacetyl]-N-[(2R)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166170452
(3S,3aS,6aR)-2-(2-amino-5-fluoro-5-methyl-4-oxohex-2-enoyl)-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 174036364
(3S)-2-(2-methyloxolane-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175537553
2-(2-methyloxolane-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175537551
(1S,2S,5R)-3-[2-(tert-butylamino)-2-oxoacetyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3-azabicyclo[3.2.0]heptane-2-carboxamide
CID 166169882
(3S)-2-[2-(2-tert-butylanilino)-2-oxoacetyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175537510
(3S)-2-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoacetyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175537467

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 175537376) is 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is O=C1NCCC1CC(NC(=O)C1C2CCCC2CN1C(=O)[C@H](O)CC1CC1)C(=O)COC(F)(F)F.
What is the InChIKey of 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is SOTSFIHROIJAGZ-CMPFZWEDSA-N. The full InChI is InChI=1S/C23H32F3N3O6/c24-23(25,26)35-11-18(31)16(9-13-6-7-27-20(13)32)28-21(33)19-15-3-1-2-14(15)10-29(19)22(34)17(30)8-12-4-5-12/h12-17,19,30H,1-11H2,(H,27,32)(H,28,33)/t13?,14?,15?,16?,17-,19?/m1/s1.
What are the key properties of 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 503.52 g/mol, XLogP of 0.89, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 175537376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).