tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)

C24H36N4O12Rh2 — CID 10898032

IUPACtetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)
SMILESCOC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.[Rh].[Rh]
InChIInChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/t4*4-;;/m0000../s1
InChIKeyNBUYQUUGVIFKGU-USACGBMHSA-N
MW778.38 g/mol
LogP-2.25
Rot. Bonds4

About tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)

tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium) (PubChem CID 10898032) has the molecular formula C24H36N4O12Rh2 and a molecular weight of 778.38 g/mol. Its IUPAC name is tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium).

Molecular Properties

Compound Nametetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)
PubChem CID10898032
Molecular FormulaC24H36N4O12Rh2
Molecular Weight778.38 g/mol
Exact Mass778.04
IUPAC Nametetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)
SMILESCOC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.[Rh].[Rh]
InChIInChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/t4*4-;;/m0000../s1
InChIKeyNBUYQUUGVIFKGU-USACGBMHSA-N
XLogP-2.25
TPSA221.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.38
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

Aluminum PCA
CID 108393
Tris(5-oxo-L-prolinato-N1,O2)aluminium
CID 90479550
methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate;rhodium(2+)
CID 11136483
RH2[(S)-Mepy]4
CID 15258146
Bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))
CID 500248
tetrakis((2S)-5-oxopyrrolidine-2-carboxylate);tin(4+)
CID 164511755
tetrakis(methyl (2S)-4,4-difluoro-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
CID 11355013
Tin tetrakis(5-oxo-DL-prolinate)
CID 56842763
Tetrakis(5-oxo-L-prolinato-N1,O2)tin
CID 56843335
Tetrakis(5-oxo-L-prolinato-N1,O2)titanium
CID 56843342
Dirhodium tetrakis[methyl (R)-2-pyrrolidinone-5-carboxylate]
CID 71310079
Tetrakis(5-oxopyrrolidine-2-carboxylic acid);titanium
CID 76419513

Frequently Asked Questions

What is the IUPAC name of tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)?
The IUPAC name of tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium) (CID 10898032) is tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium).
What is the SMILES notation for tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)?
The canonical SMILES for tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium) is COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.COC(=O)[C@@H]1CCC(=O)N1.[Rh].[Rh].
What is the InChIKey of tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)?
The InChIKey is NBUYQUUGVIFKGU-USACGBMHSA-N. The full InChI is InChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/t4*4-;;/m0000../s1.
What are the key properties of tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium)?
tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium) has a molecular weight of 778.38 g/mol, XLogP of -2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(methyl (2S)-5-oxopyrrolidine-2-carboxylate);bis(rhodium) is sourced from PubChem (CID 10898032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).