5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

C26H35N3O4 — CID 70296884

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

5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 70296884) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
• PubChem CID: 70296884
• Molecular Formula: C26H35N3O4
• Molecular Weight: 453.58 g/mol
• Exact Mass: 453.26
• IUPAC Name: 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
• SMILES: CCc1cn(Cc2[nH]c(C(=O)O)c(C)c2CC)c(Cc2[nH]c(C(=O)O)c(C)c2CC)c1CC
• InChI: InChI=1S/C26H35N3O4/c1-7-16-12-29(13-21-18(9-3)15(6)24(28-21)26(32)33)22(19(16)10-4)11-20-17(8-2)14(5)23(27-20)25(30)31/h12,27-28H,7-11,13H2,1-6H3,(H,30,31)(H,32,33)
• InChIKey: QGPNPSNCSKENNA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 111.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.58
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (CID 70296884) is 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid.

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

The canonical SMILES for 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid is CCc1cn(Cc2[nH]c(C(=O)O)c(C)c2CC)c(Cc2[nH]c(C(=O)O)c(C)c2CC)c1CC.

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

The InChIKey is QGPNPSNCSKENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-7-16-12-29(13-21-18(9-3)15(6)24(28-21)26(32)33)22(19(16)10-4)11-20-17(8-2)14(5)23(27-20)25(30)31/h12,27-28H,7-11,13H2,1-6H3,(H,30,31)(H,32,33).

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

5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 453.58 g/mol, XLogP of 5.05, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(5-carboxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethylpyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 70296884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).