5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

C37H46N4O9 — CID 134869807

About 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 134869807) has the molecular formula C37H46N4O9 and a molecular weight of 690.79 g/mol. Its IUPAC name is 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
• PubChem CID: 134869807
• Molecular Formula: C37H46N4O9
• Molecular Weight: 690.79 g/mol
• Exact Mass: 690.33
• IUPAC Name: 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
• SMILES: CCc1c(Cc2[nH]c(C(=O)c3[nH]c(Cc4[nH]c(C(=O)O)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C)c(CC)c2C)[nH]c(C(=O)O)c1C
• InChI: InChI=1S/C37H46N4O9/c1-9-21-18(4)32(36(45)46)40-26(21)15-25-17(3)22(10-2)34(38-25)35(44)31-19(5)23(11-13-29(42)49-7)27(39-31)16-28-24(12-14-30(43)50-8)20(6)33(41-28)37(47)48/h38-41H,9-16H2,1-8H3,(H,45,46)(H,47,48)
• InChIKey: FHDVTJVPHDRDMB-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 207.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	690.79
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid?

The IUPAC name of 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (CID 134869807) is 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid.

What is the SMILES notation for 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid?

The canonical SMILES for 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid is CCc1c(Cc2[nH]c(C(=O)c3[nH]c(Cc4[nH]c(C(=O)O)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C)c(CC)c2C)[nH]c(C(=O)O)c1C.

What is the InChIKey of 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid?

The InChIKey is FHDVTJVPHDRDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4O9/c1-9-21-18(4)32(36(45)46)40-26(21)15-25-17(3)22(10-2)34(38-25)35(44)31-19(5)23(11-13-29(42)49-7)27(39-31)16-28-24(12-14-30(43)50-8)20(6)33(41-28)37(47)48/h38-41H,9-16H2,1-8H3,(H,45,46)(H,47,48).

What are the key properties of 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid?

5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 690.79 g/mol, XLogP of 5.38, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[5-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carbonyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 134869807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).