[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium

C26H28F7N2O2+ — CID 134944388

IUPAC[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)([NH3+])C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H27F7N2O2/c1-13(15-9-16(25(28,29)30)11-17(10-15)26(31,32)33)37-21-8-7-19(20-12-24(2,34)23(36)35-20)22(21)14-3-5-18(27)6-4-14/h3-6,9-11,13,19-22H,7-8,12,34H2,1-2H3,(H,35,36)/p+1/t13-,19+,20-,21+,22+,24-/m1/s1
InChIKeyKZTCESBCLZIDIQ-UBIRSAPJSA-O
MW533.51 g/mol
LogP5.39
Rot. Bonds5

About [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium

[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium (PubChem CID 134944388) has the molecular formula C26H28F7N2O2+ and a molecular weight of 533.51 g/mol. Its IUPAC name is [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium
PubChem CID134944388
Molecular FormulaC26H28F7N2O2+
Molecular Weight533.51 g/mol
Exact Mass533.20
IUPAC Name[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)([NH3+])C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H27F7N2O2/c1-13(15-9-16(25(28,29)30)11-17(10-15)26(31,32)33)37-21-8-7-19(20-12-24(2,34)23(36)35-20)22(21)14-3-5-18(27)6-4-14/h3-6,9-11,13,19-22H,7-8,12,34H2,1-2H3,(H,35,36)/p+1/t13-,19+,20-,21+,22+,24-/m1/s1
InChIKeyKZTCESBCLZIDIQ-UBIRSAPJSA-O
XLogP5.39
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.51
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium?
The IUPAC name of [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium (CID 134944388) is [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium.
What is the SMILES notation for [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium?
The canonical SMILES for [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium is C[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)([NH3+])C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium?
The InChIKey is KZTCESBCLZIDIQ-UBIRSAPJSA-O. The full InChI is InChI=1S/C26H27F7N2O2/c1-13(15-9-16(25(28,29)30)11-17(10-15)26(31,32)33)37-21-8-7-19(20-12-24(2,34)23(36)35-20)22(21)14-3-5-18(27)6-4-14/h3-6,9-11,13,19-22H,7-8,12,34H2,1-2H3,(H,35,36)/p+1/t13-,19+,20-,21+,22+,24-/m1/s1.
What are the key properties of [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium?
[(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium has a molecular weight of 533.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 134944388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).