2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

C92H104F3N9O14S3 — CID 158968539

About 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 158968539) has the molecular formula C92H104F3N9O14S3 and a molecular weight of 1713.09 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 158968539
• Molecular Formula: C92H104F3N9O14S3
• Molecular Weight: 1713.09 g/mol
• Exact Mass: 1711.68
• IUPAC Name: 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
• SMILES: CC(C)[C@@H](C(=O)N1C[C@](C)(O)C[C@H]1C(=O)O)N1Cc2ccccc2C1=O.CCC1(C(=O)CCc2ccc(-c3scnc3C)cc2)C[C@@H](O)CN1C(=O)c1cccc(C)c1.Cc1cccc(C(=O)N2C[C@H](O)CC2(C)C(=O)CCc2ccc(-c3scnc3C)cc2)c1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(N)C(F)(F)F)cc1
• InChI: InChI=1S/C27H30N2O3S.C26H28N2O3S.C20H22F3N3O3S.C19H24N2O5/c1-4-27(15-23(30)16-29(27)26(32)22-7-5-6-18(2)14-22)24(31)13-10-20-8-11-21(12-9-20)25-19(3)28-17-33-25;1-17-5-4-6-21(13-17)25(31)28-15-22(29)14-26(28,3)23(30)12-9-19-7-10-20(11-8-19)24-18(2)27-16-32-24;1-11-17(30-10-25-11)13-5-2-12(3-6-13)4-7-16(28)15-8-14(27)9-26(15)19(29)18(24)20(21,22)23;1-11(2)15(20-9-12-6-4-5-7-13(12)16(20)22)17(23)21-10-19(3,26)8-14(21)18(24)25/h5-9,11-12,14,17,23,30H,4,10,13,15-16H2,1-3H3;4-8,10-11,13,16,22,29H,9,12,14-15H2,1-3H3;2-3,5-6,10,14-15,18,27H,4,7-9,24H2,1H3;4-7,11,14-15,26H,8-10H2,1-3H3,(H,24,25)/t23-,27?;22-,26?;14-,15+,18?;14-,15-,19+/m1110/s1
• InChIKey: JNNAWNUJKYDCNF-VXOVYATRSA-N
• XLogP: 13.15
• TPSA: 335.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.09
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (CID 158968539) is 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is CC(C)[C@@H](C(=O)N1C[C@](C)(O)C[C@H]1C(=O)O)N1Cc2ccccc2C1=O.CCC1(C(=O)CCc2ccc(-c3scnc3C)cc2)C[C@@H](O)CN1C(=O)c1cccc(C)c1.Cc1cccc(C(=O)N2C[C@H](O)CC2(C)C(=O)CCc2ccc(-c3scnc3C)cc2)c1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(N)C(F)(F)F)cc1.

What is the InChIKey of 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?

The InChIKey is JNNAWNUJKYDCNF-VXOVYATRSA-N. The full InChI is InChI=1S/C27H30N2O3S.C26H28N2O3S.C20H22F3N3O3S.C19H24N2O5/c1-4-27(15-23(30)16-29(27)26(32)22-7-5-6-18(2)14-22)24(31)13-10-20-8-11-21(12-9-20)25-19(3)28-17-33-25;1-17-5-4-6-21(13-17)25(31)28-15-22(29)14-26(28,3)23(30)12-9-19-7-10-20(11-8-19)24-18(2)27-16-32-24;1-11-17(30-10-25-11)13-5-2-12(3-6-13)4-7-16(28)15-8-14(27)9-26(15)19(29)18(24)20(21,22)23;1-11(2)15(20-9-12-6-4-5-7-13(12)16(20)22)17(23)21-10-19(3,26)8-14(21)18(24)25/h5-9,11-12,14,17,23,30H,4,10,13,15-16H2,1-3H3;4-8,10-11,13,16,22,29H,9,12,14-15H2,1-3H3;2-3,5-6,10,14-15,18,27H,4,7-9,24H2,1H3;4-7,11,14-15,26H,8-10H2,1-3H3,(H,24,25)/t23-,27?;22-,26?;14-,15+,18?;14-,15-,19+/m1110/s1.

What are the key properties of 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?

2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 1713.09 g/mol, XLogP of 13.15, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158968539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).