6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid

C30H28N2O6 — CID 134210328

About 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid

6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid (PubChem CID 134210328) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid
• PubChem CID: 134210328
• Molecular Formula: C30H28N2O6
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.19
• IUPAC Name: 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid
• SMILES: CCc1ccc2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OC)cn(C(=O)O)c2c1
• InChI: InChI=1S/C30H28N2O6/c1-3-18-12-13-20-19(16-32(30(35)36)27(20)14-18)15-26(28(33)37-2)31-29(34)38-17-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-14,16,25-26H,3,15,17H2,1-2H3,(H,31,34)(H,35,36)
• InChIKey: FYHFDARRXKUVBP-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 106.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid?

The IUPAC name of 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid (CID 134210328) is 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid.

What is the SMILES notation for 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid?

The canonical SMILES for 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid is CCc1ccc2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)OC)cn(C(=O)O)c2c1.

What is the InChIKey of 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid?

The InChIKey is FYHFDARRXKUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-3-18-12-13-20-19(16-32(30(35)36)27(20)14-18)15-26(28(33)37-2)31-29(34)38-17-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-14,16,25-26H,3,15,17H2,1-2H3,(H,31,34)(H,35,36).

What are the key properties of 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid?

6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid has a molecular weight of 512.56 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-3-oxopropyl]indole-1-carboxylic acid is sourced from PubChem (CID 134210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).