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

C108H124N6O24 — CID 158221855

About (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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

(1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 158221855) has the molecular formula C108H124N6O24 and a molecular weight of 1890.20 g/mol. Its IUPAC name is (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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: (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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: 158221855
• Molecular Formula: C108H124N6O24
• Molecular Weight: 1890.20 g/mol
• Exact Mass: 1888.87
• IUPAC Name: (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C1(OC(=O)c2cccn2[C@H](C)c2ccccc2)CC1.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.COC(=O)[C@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C
• InChI: InChI=1S/2C19H23NO4.C18H19NO4.C18H21NO4.2C17H19NO4/c2*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(14-7-4-3-5-8-14)19-12-6-9-15(19)16(20)23-18(10-11-18)17(21)22-2;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*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-14,17H,1-4H3;3-9,12-13H,10-11H2,1-2H3;5-13H,1-4H3;2*4-13H,1-3H3/t14-,17+;14-,17-;2*13-;12-,13+;12-,13-/m111111/s1
• InChIKey: GDIJPVRZIZBHIB-NYULUUJFSA-N
• XLogP: 18.70
• TPSA: 345.18 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.20
LogP ≤ 5	18.70
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 (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 158221855) is (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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)OC(=O)c1cccn1[C@H](C)c1ccccc1.COC(=O)C1(OC(=O)c2cccn2[C@H](C)c2ccccc2)CC1.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.COC(=O)[C@H](OC(=O)c1cccn1[C@H](C)c1ccccc1)C(C)C.

What is the InChIKey of (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 GDIJPVRZIZBHIB-NYULUUJFSA-N. The full InChI is InChI=1S/2C19H23NO4.C18H19NO4.C18H21NO4.2C17H19NO4/c2*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(14-7-4-3-5-8-14)19-12-6-9-15(19)16(20)23-18(10-11-18)17(21)22-2;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*1-12(14-8-5-4-6-9-14)18-11-7-10-15(18)17(20)22-13(2)16(19)21-3/h2*5-14,17H,1-4H3;3-9,12-13H,10-11H2,1-2H3;5-13H,1-4H3;2*4-13H,1-3H3/t14-,17+;14-,17-;2*13-;12-,13+;12-,13-/m111111/s1.

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

(1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 1890.20 g/mol, XLogP of 18.70, 32 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methoxycarbonylcyclopropyl) 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 1-[(1R)-1-phenylethyl]pyrrole-2-carboxylate;[(2R)-1-methoxy-3-methyl-1-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)-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 158221855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).