[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate

C12H24N4O8Pt — CID 170659535

IUPAC[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate
SMILESNNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C6H12N2.C4H8N2O3.C2H2O4.H2O.Pt/c7-5-3-1-2-4-6(5)8;5-6-3(7)1-2-4(8)9;3-1(4)2(5)6;;/h5-8H,1-4H2;1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6);1H2;/q-2;;;;+2/t5-,6-;;;;/m1..../s1
InChIKeyRRYOMAOKFKOHTR-NDSUJOINSA-N
MW547.42 g/mol
LogP-0.43
Rot. Bonds3

About [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate

[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate (PubChem CID 170659535) has the molecular formula C12H24N4O8Pt and a molecular weight of 547.42 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate.

Molecular Properties

Compound Name[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate
PubChem CID170659535
Molecular FormulaC12H24N4O8Pt
Molecular Weight547.42 g/mol
Exact Mass547.12
IUPAC Name[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate
SMILESNNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C6H12N2.C4H8N2O3.C2H2O4.H2O.Pt/c7-5-3-1-2-4-6(5)8;5-6-3(7)1-2-4(8)9;3-1(4)2(5)6;;/h5-8H,1-4H2;1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6);1H2;/q-2;;;;+2/t5-,6-;;;;/m1..../s1
InChIKeyRRYOMAOKFKOHTR-NDSUJOINSA-N
XLogP-0.43
TPSA246.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.42
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate with MolForge

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Launch Full Analysis

Related Compounds

4-[[2-(3-carboxypropanoylamino)cyclohexyl]amino]-4-oxobutanoic acid
CID 2913415
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
bis((2-azanidylcyclohexyl)azanide);carbanide;4-(3-carboxypropylamino)-4-oxobutanoic acid;oxalic acid;4-phenylbutanoic acid;platinum;platinum(2+)
CID 158784974
butanedihydrazide;hydrochloride
CID 54607274
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
CID 152918298
3-cyclopentylsulfanylpropanehydrazide
CID 60782274
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
butanedioic acid;cyclobutane
CID 157277656
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate?
The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate (CID 170659535) is [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate.
What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate?
The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate is NNC(=O)CCC(=O)O.O.O=C(O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate?
The InChIKey is RRYOMAOKFKOHTR-NDSUJOINSA-N. The full InChI is InChI=1S/C6H12N2.C4H8N2O3.C2H2O4.H2O.Pt/c7-5-3-1-2-4-6(5)8;5-6-3(7)1-2-4(8)9;3-1(4)2(5)6;;/h5-8H,1-4H2;1-2,5H2,(H,6,7)(H,8,9);(H,3,4)(H,5,6);1H2;/q-2;;;;+2/t5-,6-;;;;/m1..../s1.
What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate?
[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate has a molecular weight of 547.42 g/mol, XLogP of -0.43, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate is sourced from PubChem (CID 170659535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).