(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
C145H170N8O32 — CID 158911001
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
SMILESCOC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)CC(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1
InChIInChI=1S/3C19H23NO4.3C18H21NO4.2C17H19NO4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)18(22)24-19(2,3)13-17(21)23-4;1-13(2)17(19(22)23-4)24-18(21)16-11-8-12-20(16)14(3)15-9-6-5-7-10-15;1-13(14-9-6-5-7-10-14)19-12-8-11-15(19)16(20)23-18(2,3)17(21)22-4;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-12,14H,13H2,1-4H3;5-14,17H,1-4H3;5-13H,1-4H3;2*4-11,13-14H,12H2,1-3H3;2*4-13H,1-3H3/t2*14-;14-,17+;13-;13-,14+;13-,14-;12-,13+;12-,13-/m11110111/s1
InChIKeyJGQKTKQKIMDWPZ-XQZYGMNJSA-N
MW2536.98 g/mol
LogP25.75
Rot. Bonds45
About (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate
(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (PubChem CID 158911001) has the molecular formula C145H170N8O32 and a molecular weight of 2536.98 g/mol. Its IUPAC name is (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.
Molecular Properties
| Compound Name | (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate |
|---|---|
| PubChem CID | 158911001 |
| Molecular Formula | C145H170N8O32 |
| Molecular Weight | 2536.98 g/mol |
| Exact Mass | 2535.19 |
| IUPAC Name | (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate |
| SMILES | COC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)CC(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1 |
| InChI | InChI=1S/3C19H23NO4.3C18H21NO4.2C17H19NO4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)18(22)24-19(2,3)13-17(21)23-4;1-13(2)17(19(22)23-4)24-18(21)16-11-8-12-20(16)14(3)15-9-6-5-7-10-15;1-13(14-9-6-5-7-10-14)19-12-8-11-15(19)16(20)23-18(2,3)17(21)22-4;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-12,14H,13H2,1-4H3;5-14,17H,1-4H3;5-13H,1-4H3;2*4-11,13-14H,12H2,1-3H3;2*4-13H,1-3H3/t2*14-;14-,17+;13-;13-,14+;13-,14-;12-,13+;12-,13-/m11110111/s1 |
| InChIKey | JGQKTKQKIMDWPZ-XQZYGMNJSA-N |
| XLogP | 25.75 |
| TPSA | 460.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 185 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2536.98 |
| LogP ≤ 5 | 25.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The IUPAC name of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate (CID 158911001) is (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate.
What is the SMILES notation for (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The canonical SMILES for (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is COC(=O)C(C)(C)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)CC(C)(C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.COC(=O)[C@H](C)OC(=O)c1cccn1[C@H](C)c1ccccc1.
What is the InChIKey of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
The InChIKey is JGQKTKQKIMDWPZ-XQZYGMNJSA-N. The full InChI is InChI=1S/3C19H23NO4.3C18H21NO4.2C17H19NO4/c1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)17(21)24-13-19(2,3)18(22)23-4;1-14(15-9-6-5-7-10-15)20-12-8-11-16(20)18(22)24-19(2,3)13-17(21)23-4;1-13(2)17(19(22)23-4)24-18(21)16-11-8-12-20(16)14(3)15-9-6-5-7-10-15;1-13(14-9-6-5-7-10-14)19-12-8-11-15(19)16(20)23-18(2,3)17(21)22-4;2*1-13(12-17(20)22-3)23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;2*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-12,14H,13H2,1-4H3;5-14,17H,1-4H3;5-13H,1-4H3;2*4-11,13-14H,12H2,1-3H3;2*4-13H,1-3H3/t2*14-;14-,17+;13-;13-,14+;13-,14-;12-,13+;12-,13-/m11110111/s1.
What are the key properties of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate?
(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate has a molecular weight of 2536.98 g/mol, XLogP of 25.75, 45 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(1-methoxy-2-methyl-1-oxopropan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 158911001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158911001 — identifiers, structure, computed properties (public domain)
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