[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

C24H29N3O4 — CID 7573546

About [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate (PubChem CID 7573546) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate.

Molecular Properties

• Compound Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
• PubChem CID: 7573546
• Molecular Formula: C24H29N3O4
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.22
• IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
• SMILES: CCCn1c(C)cc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)c1C
• InChI: InChI=1S/C24H29N3O4/c1-5-10-27-15(2)11-20(16(27)3)23(29)14-31-24(30)22(26-17(4)28)12-18-13-25-21-9-7-6-8-19(18)21/h6-9,11,13,22,25H,5,10,12,14H2,1-4H3,(H,26,28)/t22-/m0/s1
• InChIKey: UTNZJHBDLITOPD-QFIPXVFZSA-N
• XLogP: 3.47
• TPSA: 93.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate?

The IUPAC name of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate (CID 7573546) is [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate.

What is the SMILES notation for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate?

The canonical SMILES for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate is CCCn1c(C)cc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)c1C.

What is the InChIKey of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate?

The InChIKey is UTNZJHBDLITOPD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-10-27-15(2)11-20(16(27)3)23(29)14-31-24(30)22(26-17(4)28)12-18-13-25-21-9-7-6-8-19(18)21/h6-9,11,13,22,25H,5,10,12,14H2,1-4H3,(H,26,28)/t22-/m0/s1.

What are the key properties of [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate?

[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate has a molecular weight of 423.51 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7573546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).