(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid

C15H27NO8Pt — CID 152918298

IUPAC(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=C(O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.2C3H6O2.C2H2O4.Pt/c1-6-4-2-3-5-7(6)8;2*1-2-3(4)5;3-1(4)2(5)6;/h6-8H,1-5H2;2*2H2,1H3,(H,4,5);(H,3,4)(H,5,6);/q-2;;;;+2
InChIKeyGJOGUYHZOWWJQC-UHFFFAOYSA-N
MW544.46 g/mol
LogP2.55
Rot. Bonds2

About (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid

(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid (PubChem CID 152918298) has the molecular formula C15H27NO8Pt and a molecular weight of 544.46 g/mol. Its IUPAC name is (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid.

Molecular Properties

Compound Name(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
PubChem CID152918298
Molecular FormulaC15H27NO8Pt
Molecular Weight544.46 g/mol
Exact Mass544.14
IUPAC Name(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=C(O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C7H13N.2C3H6O2.C2H2O4.Pt/c1-6-4-2-3-5-7(6)8;2*1-2-3(4)5;3-1(4)2(5)6;/h6-8H,1-5H2;2*2H2,1H3,(H,4,5);(H,3,4)(H,5,6);/q-2;;;;+2
InChIKeyGJOGUYHZOWWJQC-UHFFFAOYSA-N
XLogP2.55
TPSA173.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.46
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate
CID 153035795
bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
CID 58115580
(2-methanidylcyclopentyl)azanide;platinum(2+)
CID 147503785
bis(2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid);ethane;(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+)
CID 160739463
tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
CID 161428238
dichloroplatinum(2+);[(1S,2R)-2-methanidylcyclohexyl]azanide
CID 160751688
pentakis(dichloroplatinum(2+));tris(ethane-1,2-diol);pentakis([(1R,2R)-2-methanidylcyclohexyl]azanide);methanol;octadecanoic acid;propanoic acid;2,4,4-trimethylpentan-2-ylcarbamic acid
CID 158018854
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
[(1R,2R)-2-azanidylcyclohexyl]azanide;4-hydrazinyl-4-oxobutanoic acid;oxalic acid;platinum(2+);hydrate
CID 170659535
bis(6-(2,5-dioxopyrrol-1-yl)hexanoic acid);bis([(1R,2R)-2-methanidylcyclohexyl]azanide);2-methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate;oxalic acid;bis(platinum(2+));dihydrate
CID 158809654
2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;carbanide;gadolinium(3+);(2-methanidylcyclohexyl)azanide;platinum
CID 58275100
cyclohexane;ethane;propanoic acid
CID 143012181

Frequently Asked Questions

What is the IUPAC name of (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid?
The IUPAC name of (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid (CID 152918298) is (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid.
What is the SMILES notation for (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid?
The canonical SMILES for (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid is CCC(=O)O.CCC(=O)O.O=C(O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid?
The InChIKey is GJOGUYHZOWWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C3H6O2.C2H2O4.Pt/c1-6-4-2-3-5-7(6)8;2*1-2-3(4)5;3-1(4)2(5)6;/h6-8H,1-5H2;2*2H2,1H3,(H,4,5);(H,3,4)(H,5,6);/q-2;;;;+2.
What are the key properties of (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid?
(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid has a molecular weight of 544.46 g/mol, XLogP of 2.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid is sourced from PubChem (CID 152918298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).