(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

C23H32F3N3O6 — CID 175537553

IUPAC(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
SMILESCC1(C(=O)N2CC3CCCC3[C@H]2C(=O)NC(CC2CCNC2=O)C(=O)COC(F)(F)F)CCCO1
InChIInChI=1S/C23H32F3N3O6/c1-22(7-3-9-34-22)21(33)29-11-14-4-2-5-15(14)18(29)20(32)28-16(10-13-6-8-27-19(13)31)17(30)12-35-23(24,25)26/h13-16,18H,2-12H2,1H3,(H,27,31)(H,28,32)/t13?,14?,15?,16?,18-,22?/m0/s1
InChIKeyPZVUYEKCGXQKFX-SUYYLGFOSA-N
MW503.52 g/mol
LogP1.30
Rot. Bonds8

About (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

(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 (PubChem CID 175537553) has the molecular formula C23H32F3N3O6 and a molecular weight of 503.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175537553
Molecular FormulaC23H32F3N3O6
Molecular Weight503.52 g/mol
Exact Mass503.22
IUPAC Name(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
SMILESCC1(C(=O)N2CC3CCCC3[C@H]2C(=O)NC(CC2CCNC2=O)C(=O)COC(F)(F)F)CCCO1
InChIInChI=1S/C23H32F3N3O6/c1-22(7-3-9-34-22)21(33)29-11-14-4-2-5-15(14)18(29)20(32)28-16(10-13-6-8-27-19(13)31)17(30)12-35-23(24,25)26/h13-16,18H,2-12H2,1H3,(H,27,31)(H,28,32)/t13?,14?,15?,16?,18-,22?/m0/s1
InChIKeyPZVUYEKCGXQKFX-SUYYLGFOSA-N
XLogP1.30
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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
(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
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
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
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
(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-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,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
(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,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)-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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C(=O)N2CC3CCCC3[C@H]2C(=O)NC(CC2CCNC2=O)C(=O)COC(F)(F)F)CCCO1.
What is the InChIKey of (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?
The InChIKey is PZVUYEKCGXQKFX-SUYYLGFOSA-N. The full InChI is InChI=1S/C23H32F3N3O6/c1-22(7-3-9-34-22)21(33)29-11-14-4-2-5-15(14)18(29)20(32)28-16(10-13-6-8-27-19(13)31)17(30)12-35-23(24,25)26/h13-16,18H,2-12H2,1H3,(H,27,31)(H,28,32)/t13?,14?,15?,16?,18-,22?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 503.52 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175537553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).