(3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one

C26H27F7N2O2 — CID 91127787

About (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one

(3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one (PubChem CID 91127787) has the molecular formula C26H27F7N2O2 and a molecular weight of 532.50 g/mol. Its IUPAC name is (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one
• PubChem CID: 91127787
• Molecular Formula: C26H27F7N2O2
• Molecular Weight: 532.50 g/mol
• Exact Mass: 532.20
• IUPAC Name: (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one
• SMILES: C[C@@H](O[C@H]1CCC([C@H]2C[C@@](C)(N)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: 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)/t13-,19?,20-,21+,22+,24-/m1/s1
• InChIKey: KZTCESBCLZIDIQ-ZKWQEZKGSA-N
• XLogP: 6.11
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.50
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one?

The IUPAC name of (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one (CID 91127787) is (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one.

What is the SMILES notation for (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one?

The canonical SMILES for (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one is C[C@@H](O[C@H]1CCC([C@H]2C[C@@](C)(N)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)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one?

The InChIKey is KZTCESBCLZIDIQ-ZKWQEZKGSA-N. 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)/t13-,19?,20-,21+,22+,24-/m1/s1.

What are the key properties of (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one?

(3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one has a molecular weight of 532.50 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-3-amino-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 91127787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).