(2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid

C112H142N12O22S3 — CID 164977640

About (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid

(2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid (PubChem CID 164977640) has the molecular formula C112H142N12O22S3 and a molecular weight of 2104.63 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
• PubChem CID: 164977640
• Molecular Formula: C112H142N12O22S3
• Molecular Weight: 2104.63 g/mol
• Exact Mass: 2102.95
• IUPAC Name: (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid
• SMILES: CC(C)(C)C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](CC(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](N)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](OC(C)(C)C)CN2C(=O)[C@H](N)C(C)(C)C)cc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C28H40N2O3S.C27H39N3O3S.C23H31N3O3S.C19H20N2O6.C15H12N2O7/c1-18-25(34-17-29-18)20-11-8-19(9-12-20)10-13-24(32)23-14-21(31)16-30(23)26(33)22(28(5,6)7)15-27(2,3)4;1-17-23(34-16-29-17)19-11-8-18(9-12-19)10-13-22(31)21-14-20(33-27(5,6)7)15-30(21)25(32)24(28)26(2,3)4;1-14-20(30-13-25-14)16-8-5-15(6-9-16)7-10-19(28)18-11-17(27)12-26(18)22(29)21(24)23(2,3)4;1-19(2,3)13(22)9-27-12-6-4-5-10-15(12)18(26)21(17(10)25)11-7-8-14(23)20-16(11)24;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h8-9,11-12,17,21-23,31H,10,13-16H2,1-7H3;8-9,11-12,16,20-21,24H,10,13-15,28H2,1-7H3;5-6,8-9,13,17-18,21,27H,7,10-12,24H2,1-4H3;4-6,11H,7-9H2,1-3H3,(H,20,23,24);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)/t21-,22-,23+;20-,21+,24-;17-,18+,21-;;/m000../s1
• InChIKey: FAAVWCWMKVMILB-MRYMFCLRSA-N
• XLogP: 14.05
• TPSA: 492.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.63
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?

The IUPAC name of (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid (CID 164977640) is (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid.

What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?

The canonical SMILES for (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid is CC(C)(C)C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](CC(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](N)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](OC(C)(C)C)CN2C(=O)[C@H](N)C(C)(C)C)cc1.O=C(O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?

The InChIKey is FAAVWCWMKVMILB-MRYMFCLRSA-N. The full InChI is InChI=1S/C28H40N2O3S.C27H39N3O3S.C23H31N3O3S.C19H20N2O6.C15H12N2O7/c1-18-25(34-17-29-18)20-11-8-19(9-12-20)10-13-24(32)23-14-21(31)16-30(23)26(33)22(28(5,6)7)15-27(2,3)4;1-17-23(34-16-29-17)19-11-8-18(9-12-19)10-13-22(31)21-14-20(33-27(5,6)7)15-30(21)25(32)24(28)26(2,3)4;1-14-20(30-13-25-14)16-8-5-15(6-9-16)7-10-19(28)18-11-17(27)12-26(18)22(29)21(24)23(2,3)4;1-19(2,3)13(22)9-27-12-6-4-5-10-15(12)18(26)21(17(10)25)11-7-8-14(23)20-16(11)24;18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h8-9,11-12,17,21-23,31H,10,13-16H2,1-7H3;8-9,11-12,16,20-21,24H,10,13-15,28H2,1-7H3;5-6,8-9,13,17-18,21,27H,7,10-12,24H2,1-4H3;4-6,11H,7-9H2,1-3H3,(H,20,23,24);1-3,8H,4-6H2,(H,19,20)(H,16,18,21)/t21-,22-,23+;20-,21+,24-;17-,18+,21-;;/m000../s1.

What are the key properties of (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid?

(2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid has a molecular weight of 2104.63 g/mol, XLogP of 14.05, 28 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3,3-dimethyl-1-[(2R,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one;(2R)-2-amino-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;(2R)-2-tert-butyl-1-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-4,4-dimethylpentan-1-one;4-(3,3-dimethyl-2-oxobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acid is sourced from PubChem (CID 164977640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).