[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)

C12H16N2O5Pt — CID 90467721

IUPAC[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESO=C1CC(C(=O)[O-])(C(=O)[O-])C1.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+4]
InChIInChI=1S/C6H12N2.C6H6O5.Pt/c7-5-3-1-2-4-6(5)8;7-3-1-6(2-3,4(8)9)5(10)11;/h5-8H,1-4H2;1-2H2,(H,8,9)(H,10,11);/q-2;;+4/p-2/t5-,6-;;/m1../s1
InChIKeyYDUKFMOTUANKRJ-BNTLRKBRSA-L
MW463.35 g/mol
LogP-0.76
Rot. Bonds2

About [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)

[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) (PubChem CID 90467721) has the molecular formula C12H16N2O5Pt and a molecular weight of 463.35 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
PubChem CID90467721
Molecular FormulaC12H16N2O5Pt
Molecular Weight463.35 g/mol
Exact Mass463.07
IUPAC Name[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESO=C1CC(C(=O)[O-])(C(=O)[O-])C1.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+4]
InChIInChI=1S/C6H12N2.C6H6O5.Pt/c7-5-3-1-2-4-6(5)8;7-3-1-6(2-3,4(8)9)5(10)11;/h5-8H,1-4H2;1-2H2,(H,8,9)(H,10,11);/q-2;;+4/p-2/t5-,6-;;/m1../s1
InChIKeyYDUKFMOTUANKRJ-BNTLRKBRSA-L
XLogP-0.76
TPSA144.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) with MolForge

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Related Compounds

azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)
CID 90467720
(2-azanidylcyclopentyl)azanide;oxalate;platinum(4+)
CID 138401620
(2-azanidylcyclohexyl)azanide;platinum(4+);dihydroxide
CID 50909744
(2-azanidylcyclohexyl)azanide;carbanide;platinum(4+)
CID 59018646
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;bis(platinum(4+));dihydroxide
CID 6333896
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
bis((2-azanidylcyclohexyl)azanide);dihydroxy(oxo)azanium;nickel(2+)
CID 6333545
(2-azanidylcyclohexyl)azanide;carbanide;dichloroplatinum;nitrite
CID 59411823
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
CID 56843649
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
CID 24843077
(2-azanidylcyclohexyl)azanide;pentane-2,4-dione;platinum(4+);nitrate
CID 131882850

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)?
The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) (CID 90467721) is [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+).
What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)?
The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) is O=C1CC(C(=O)[O-])(C(=O)[O-])C1.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+4].
What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)?
The InChIKey is YDUKFMOTUANKRJ-BNTLRKBRSA-L. The full InChI is InChI=1S/C6H12N2.C6H6O5.Pt/c7-5-3-1-2-4-6(5)8;7-3-1-6(2-3,4(8)9)5(10)11;/h5-8H,1-4H2;1-2H2,(H,8,9)(H,10,11);/q-2;;+4/p-2/t5-,6-;;/m1../s1.
What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+)?
[(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) has a molecular weight of 463.35 g/mol, XLogP of -0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;3-oxocyclobutane-1,1-dicarboxylate;platinum(4+) is sourced from PubChem (CID 90467721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).