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

C48H44N4O16Rh2 — CID 139247276

IUPAC2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
SMILESCCC(C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/4C12H11NO4.2Rh/c4*1-2-9(12(16)17)13-10(14)7-5-3-4-6-8(7)11(13)15;;/h4*3-6,9H,2H2,1H3,(H,16,17);;/t3*9-;;;/m000.../s1
InChIKeyJQOBUVNGXKYVJC-SXBJVXPVSA-N
MW1138.70 g/mol
LogP4.58
Rot. Bonds12

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

2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (PubChem CID 139247276) has the molecular formula C48H44N4O16Rh2 and a molecular weight of 1138.70 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
PubChem CID139247276
Molecular FormulaC48H44N4O16Rh2
Molecular Weight1138.70 g/mol
Exact Mass1138.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)
SMILESCCC(C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/4C12H11NO4.2Rh/c4*1-2-9(12(16)17)13-10(14)7-5-3-4-6-8(7)11(13)15;;/h4*3-6,9H,2H2,1H3,(H,16,17);;/t3*9-;;;/m000.../s1
InChIKeyJQOBUVNGXKYVJC-SXBJVXPVSA-N
XLogP4.58
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001138.70
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) (CID 139247276) is 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium).
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) is CCC(C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh].
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?
The InChIKey is JQOBUVNGXKYVJC-SXBJVXPVSA-N. The full InChI is InChI=1S/4C12H11NO4.2Rh/c4*1-2-9(12(16)17)13-10(14)7-5-3-4-6-8(7)11(13)15;;/h4*3-6,9H,2H2,1H3,(H,16,17);;/t3*9-;;;/m000.../s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium)?
2-(1,3-dioxoisoindol-2-yl)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) has a molecular weight of 1138.70 g/mol, XLogP of 4.58, 12 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)butanoic acid;tris((2S)-2-(1,3-dioxoisoindol-2-yl)butanoic acid);bis(rhodium) is sourced from PubChem (CID 139247276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).