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

C56H60N4O16Rh2 — CID 139247280

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

2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) (PubChem CID 139247280) has the molecular formula C56H60N4O16Rh2 and a molecular weight of 1250.92 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium).

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)
• PubChem CID: 139247280
• Molecular Formula: C56H60N4O16Rh2
• Molecular Weight: 1250.92 g/mol
• Exact Mass: 1250.21
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)
• SMILES: CC(C)(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
• InChI: InChI=1S/4C14H15NO4.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h4*4-7,10H,1-3H3,(H,18,19);;/t3*10-;;;/m111.../s1
• InChIKey: YLYYLWVDQDPYHB-CGORIIEKSA-N
• XLogP: 7.12
• TPSA: 298.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.92
LogP ≤ 5	7.12
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 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) (CID 139247280) is 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium).

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

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

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

The InChIKey is YLYYLWVDQDPYHB-CGORIIEKSA-N. The full InChI is InChI=1S/4C14H15NO4.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h4*4-7,10H,1-3H3,(H,18,19);;/t3*10-;;;/m111.../s1.

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

2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) has a molecular weight of 1250.92 g/mol, XLogP of 7.12, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) is sourced from PubChem (CID 139247280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).