(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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

C110H130N6O24 — CID 157371656

About (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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

(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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 (PubChem CID 157371656) has the molecular formula C110H130N6O24 and a molecular weight of 1920.27 g/mol. Its IUPAC name is (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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.

Molecular Properties

• Compound Name: (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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
• PubChem CID: 157371656
• Molecular Formula: C110H130N6O24
• Molecular Weight: 1920.27 g/mol
• Exact Mass: 1918.91
• IUPAC Name: (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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
• SMILES: COC(=O)C(C)(C)COC(=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)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](C)COC(=O)c1cccn1[C@H](C)c1ccccc1
• InChI: InChI=1S/2C19H23NO4.4C18H21NO4/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;2*1-13(17(20)22-3)12-23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;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/h2*5-12,14H,13H2,1-4H3;4*4-11,13-14H,12H2,1-3H3/t2*14-;13-,14+;13-,14-;13-,14+;13-,14-/m110101/s1
• InChIKey: BJVJHYLUIUTWJX-DNKMCVFDSA-N
• XLogP: 19.59
• TPSA: 345.18 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.27
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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?

The IUPAC name of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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 (CID 157371656) is (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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.

What is the SMILES notation for (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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?

The canonical SMILES for (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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 is COC(=O)C(C)(C)COC(=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)COC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)[C@H](C)COC(=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;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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?

The InChIKey is BJVJHYLUIUTWJX-DNKMCVFDSA-N. The full InChI is InChI=1S/2C19H23NO4.4C18H21NO4/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;2*1-13(17(20)22-3)12-23-18(21)16-10-7-11-19(16)14(2)15-8-5-4-6-9-15;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/h2*5-12,14H,13H2,1-4H3;4*4-11,13-14H,12H2,1-3H3/t2*14-;13-,14+;13-,14-;13-,14+;13-,14-/m110101/s1.

What are the key properties of (3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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?

(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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 has a molecular weight of 1920.27 g/mol, XLogP of 19.59, 36 rotatable bonds, 0 hydrogen bond donors, and 30 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;(4-methoxy-2-methyl-4-oxobutan-2-yl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 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 is sourced from PubChem (CID 157371656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).