methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

C55H57N11O17 — CID 157051090

About methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid

methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 157051090) has the molecular formula C55H57N11O17 and a molecular weight of 1144.12 g/mol. Its IUPAC name is methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
• PubChem CID: 157051090
• Molecular Formula: C55H57N11O17
• Molecular Weight: 1144.12 g/mol
• Exact Mass: 1143.39
• IUPAC Name: methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
• SMILES: COC(=O)c1cc(CC(=O)c2cc(CC(=O)c3cc(CC(=O)c4cc([N+](=O)[O-])cn4C)cn3C)cn2C)cn1C.COC(=O)c1cc(CC(=O)c2cc([N+](=O)[O-])cn2C)cn1C.Cn1cc(CC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)O
• InChI: InChI=1S/C28H29N5O7.C14H15N3O5.C13H13N3O5/c1-29-13-17(6-22(29)26(35)11-19-8-24(28(37)40-5)31(3)15-19)9-25(34)21-7-18(14-30(21)2)10-27(36)23-12-20(33(38)39)16-32(23)4;1-15-7-9(4-12(15)14(19)22-3)5-13(18)11-6-10(17(20)21)8-16(11)2;1-14-6-8(3-11(14)13(18)19)4-12(17)10-5-9(16(20)21)7-15(10)2/h6-8,12-16H,9-11H2,1-5H3;4,6-8H,5H2,1-3H3;3,5-7H,4H2,1-2H3,(H,18,19)
• InChIKey: AAFFQWMMABBGTE-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 344.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.12
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?

The IUPAC name of methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 157051090) is methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid.

What is the SMILES notation for methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?

The canonical SMILES for methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is COC(=O)c1cc(CC(=O)c2cc(CC(=O)c3cc(CC(=O)c4cc([N+](=O)[O-])cn4C)cn3C)cn2C)cn1C.COC(=O)c1cc(CC(=O)c2cc([N+](=O)[O-])cn2C)cn1C.Cn1cc(CC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)O.

What is the InChIKey of methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?

The InChIKey is AAFFQWMMABBGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O7.C14H15N3O5.C13H13N3O5/c1-29-13-17(6-22(29)26(35)11-19-8-24(28(37)40-5)31(3)15-19)9-25(34)21-7-18(14-30(21)2)10-27(36)23-12-20(33(38)39)16-32(23)4;1-15-7-9(4-12(15)14(19)22-3)5-13(18)11-6-10(17(20)21)8-16(11)2;1-14-6-8(3-11(14)13(18)19)4-12(17)10-5-9(16(20)21)7-15(10)2/h6-8,12-16H,9-11H2,1-5H3;4,6-8H,5H2,1-3H3;3,5-7H,4H2,1-2H3,(H,18,19).

What are the key properties of methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid?

methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 1144.12 g/mol, XLogP of 5.89, 21 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carboxylate;methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate;1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 157051090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).