(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)

C15H18N2O4Pt — CID 56843649

IUPAC(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
SMILESO=C([O-])Cc1ccccc1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C9H8O4.C6H12N2.Pt/c10-8(11)5-6-3-1-2-4-7(6)9(12)13;7-5-3-1-2-4-6(5)8;/h1-4H,5H2,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyPTAYWZBBVSZUQS-UHFFFAOYSA-L
MW485.40 g/mol
LogP0.74
Rot. Bonds3

About (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)

(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+) (PubChem CID 56843649) has the molecular formula C15H18N2O4Pt and a molecular weight of 485.40 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
PubChem CID56843649
Molecular FormulaC15H18N2O4Pt
Molecular Weight485.40 g/mol
Exact Mass485.09
IUPAC Name(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
SMILESO=C([O-])Cc1ccccc1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C9H8O4.C6H12N2.Pt/c10-8(11)5-6-3-1-2-4-7(6)9(12)13;7-5-3-1-2-4-6(5)8;/h1-4H,5H2,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyPTAYWZBBVSZUQS-UHFFFAOYSA-L
XLogP0.74
TPSA127.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+) (CID 56843649) is (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+) is O=C([O-])Cc1ccccc1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)?
The InChIKey is PTAYWZBBVSZUQS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H8O4.C6H12N2.Pt/c10-8(11)5-6-3-1-2-4-7(6)9(12)13;7-5-3-1-2-4-6(5)8;/h1-4H,5H2,(H,10,11)(H,12,13);5-8H,1-4H2;/q;-2;+4/p-2.
What are the key properties of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)?
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+) has a molecular weight of 485.40 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+) is sourced from PubChem (CID 56843649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).