(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid

C27H26F7NO4 — CID 18445910

IUPAC(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)(C(=O)O)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H26F7NO4/c1-13(15-9-16(26(29,30)31)11-17(10-15)27(32,33)34)39-21-8-7-19(22(21)14-3-5-18(28)6-4-14)20-12-25(2,24(37)38)23(36)35-20/h3-6,9-11,13,19-22H,7-8,12H2,1-2H3,(H,35,36)(H,37,38)/t13-,19+,20-,21+,22+,25-/m1/s1
InChIKeyOMUCQYNMHIFBSN-FVOGTOORSA-N
MW561.49 g/mol
LogP6.48
Rot. Bonds6

About (3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid

(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 18445910) has the molecular formula C27H26F7NO4 and a molecular weight of 561.49 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-oxopyrrolidine-3-carboxylic acid.

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-oxopyrrolidine-3-carboxylic acid
PubChem CID18445910
Molecular FormulaC27H26F7NO4
Molecular Weight561.49 g/mol
Exact Mass561.18
IUPAC Name(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)(C(=O)O)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H26F7NO4/c1-13(15-9-16(26(29,30)31)11-17(10-15)27(32,33)34)39-21-8-7-19(22(21)14-3-5-18(28)6-4-14)20-12-25(2,24(37)38)23(36)35-20/h3-6,9-11,13,19-22H,7-8,12H2,1-2H3,(H,35,36)(H,37,38)/t13-,19+,20-,21+,22+,25-/m1/s1
InChIKeyOMUCQYNMHIFBSN-FVOGTOORSA-N
XLogP6.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.49
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid 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-oxopyrrolidine-3-carboxylic acid?
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-oxopyrrolidine-3-carboxylic acid (CID 18445910) is (3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid.
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-oxopyrrolidine-3-carboxylic acid?
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-oxopyrrolidine-3-carboxylic acid is C[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@@](C)(C(=O)O)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-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OMUCQYNMHIFBSN-FVOGTOORSA-N. The full InChI is InChI=1S/C27H26F7NO4/c1-13(15-9-16(26(29,30)31)11-17(10-15)27(32,33)34)39-21-8-7-19(22(21)14-3-5-18(28)6-4-14)20-12-25(2,24(37)38)23(36)35-20/h3-6,9-11,13,19-22H,7-8,12H2,1-2H3,(H,35,36)(H,37,38)/t13-,19+,20-,21+,22+,25-/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-oxopyrrolidine-3-carboxylic acid?
(3R,5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methyl-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 561.49 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 18445910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).