bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)

C52H52N4O16Rh2 — CID 139247277

About bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)

bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium) (PubChem CID 139247277) has the molecular formula C52H52N4O16Rh2 and a molecular weight of 1194.81 g/mol. Its IUPAC name is bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)
• PubChem CID: 139247277
• Molecular Formula: C52H52N4O16Rh2
• Molecular Weight: 1194.81 g/mol
• Exact Mass: 1194.15
• IUPAC Name: bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)
• SMILES: CC(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C13H13NO4.2Rh/c4*1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16;;/h4*3-7,10H,1-2H3,(H,17,18);;/t2*10-;;;;/m00..../s1
• InChIKey: HQMAKEJZHWCKJZ-JTSTZFRLSA-N
• XLogP: 5.56
• TPSA: 298.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.81
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)?

The IUPAC name of bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium) (CID 139247277) is bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium).

What is the SMILES notation for bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)?

The canonical SMILES for bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium) is CC(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh].

What is the InChIKey of bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)?

The InChIKey is HQMAKEJZHWCKJZ-JTSTZFRLSA-N. The full InChI is InChI=1S/4C13H13NO4.2Rh/c4*1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16;;/h4*3-7,10H,1-2H3,(H,17,18);;/t2*10-;;;;/m00..../s1.

What are the key properties of bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium)?

bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium) has a molecular weight of 1194.81 g/mol, XLogP of 5.56, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis((2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid);bis(rhodium) is sourced from PubChem (CID 139247277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).