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

C27H30ClF7N2O2 — CID 18445907

IUPAC(3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@](C)(CN)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C27H29F7N2O2.ClH/c1-14(16-9-17(26(29,30)31)11-18(10-16)27(32,33)34)38-22-8-7-20(21-12-25(2,13-35)24(37)36-21)23(22)15-3-5-19(28)6-4-15;/h3-6,9-11,14,20-23H,7-8,12-13,35H2,1-2H3,(H,36,37);1H/t14-,20+,21-,22+,23+,25-;/m1./s1
InChIKeyIJFQADDWSLVQRE-ILDWBAMNSA-N
MW582.99 g/mol
LogP6.78
Rot. Bonds6

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

(3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride (PubChem CID 18445907) has the molecular formula C27H30ClF7N2O2 and a molecular weight of 582.99 g/mol. Its IUPAC name is (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride
PubChem CID18445907
Molecular FormulaC27H30ClF7N2O2
Molecular Weight582.99 g/mol
Exact Mass582.19
IUPAC Name(3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride
SMILESC[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@](C)(CN)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C27H29F7N2O2.ClH/c1-14(16-9-17(26(29,30)31)11-18(10-16)27(32,33)34)38-22-8-7-20(21-12-25(2,13-35)24(37)36-21)23(22)15-3-5-19(28)6-4-15;/h3-6,9-11,14,20-23H,7-8,12-13,35H2,1-2H3,(H,36,37);1H/t14-,20+,21-,22+,23+,25-;/m1./s1
InChIKeyIJFQADDWSLVQRE-ILDWBAMNSA-N
XLogP6.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.99
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(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
(3R,5R)-5-[(2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-hydroxy-3-methylpyrrolidin-2-one
CID 91610817
(3R,5S)-3-amino-5-[(1R,2R,3S)-3-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one
CID 70893446
(2S,6R,7S,8S)-2-amino-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 24750570
(2R,6R,7S,8S)-2-amino-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 24750571
(3S,5R)-3-(dimethylamino)-5-[(1R,2R,3S)-3-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]pyrrolidin-2-one
CID 70800926
3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
CID 10226723
2-[(4R,5S)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethanol
CID 11713337
(5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one
CID 11649261
1-[[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]pyrrolidine
CID 22885687
1-[(3S)-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-2-iodoethanone
CID 89146080
(6R,8S)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 89207964

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride (CID 18445907) is (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride is C[C@@H](O[C@H]1CC[C@@H]([C@H]2C[C@](C)(CN)C(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride?
The InChIKey is IJFQADDWSLVQRE-ILDWBAMNSA-N. The full InChI is InChI=1S/C27H29F7N2O2.ClH/c1-14(16-9-17(26(29,30)31)11-18(10-16)27(32,33)34)38-22-8-7-20(21-12-25(2,13-35)24(37)36-21)23(22)15-3-5-19(28)6-4-15;/h3-6,9-11,14,20-23H,7-8,12-13,35H2,1-2H3,(H,36,37);1H/t14-,20+,21-,22+,23+,25-;/m1./s1.
What are the key properties of (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride?
(3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride has a molecular weight of 582.99 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(aminomethyl)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 18445907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).