(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)

C15H17N3O6Pt — CID 24843064

IUPAC(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)
SMILESO=C([O-])Cc1cccc([N+](=O)[O-])c1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C9H7NO6.C6H12N2.Pt/c11-7(12)4-5-2-1-3-6(10(15)16)8(5)9(13)14;7-5-3-1-2-4-6(5)8;/h1-3H,4H2,(H,11,12)(H,13,14);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyBTUCGMCAMMLCJW-UHFFFAOYSA-L
MW530.39 g/mol
LogP0.65
Rot. Bonds4

About (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)

(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+) (PubChem CID 24843064) has the molecular formula C15H17N3O6Pt and a molecular weight of 530.39 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)
PubChem CID24843064
Molecular FormulaC15H17N3O6Pt
Molecular Weight530.39 g/mol
Exact Mass530.08
IUPAC Name(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)
SMILESO=C([O-])Cc1cccc([N+](=O)[O-])c1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C9H7NO6.C6H12N2.Pt/c11-7(12)4-5-2-1-3-6(10(15)16)8(5)9(13)14;7-5-3-1-2-4-6(5)8;/h1-3H,4H2,(H,11,12)(H,13,14);5-8H,1-4H2;/q;-2;+4/p-2
InChIKeyBTUCGMCAMMLCJW-UHFFFAOYSA-L
XLogP0.65
TPSA171.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-4-nitrobenzoate;platinum(4+)
CID 24843067
(2-azanidylcyclohexyl)azanide;2-nitrobenzene-1,3-dicarboxylate;platinum(4+)
CID 24843077
potassium 2-amino-6-nitrobenzoate
CID 71764475
1-cyclopentyl-3-(2-methyl-3-nitrophenyl)propan-1-one
CID 113390093
2-[(cyclopropylmethylamino)methyl]-6-nitrobenzoic acid
CID 103231161
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-nitrobenzoic acid
CID 104825911
2-cyclohexyloxy-6-nitrobenzoic acid
CID 107341200
bis([(1R,2R)-2-azanidylcyclohexyl]azanide);bis(platinum(4+));dihydroxide;dinitrate
CID 175675477
2-[(3-methylpiperidin-1-yl)methyl]-6-nitrobenzoic acid
CID 104825845
2-nitro-6-[(oxan-4-ylamino)methyl]benzoic acid
CID 103239330
2-cyclohexyl-6-nitrophenol;2-cyclohexylphenol
CID 159298843

Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+) (CID 24843064) is (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+) is O=C([O-])Cc1cccc([N+](=O)[O-])c1C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)?
The InChIKey is BTUCGMCAMMLCJW-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7NO6.C6H12N2.Pt/c11-7(12)4-5-2-1-3-6(10(15)16)8(5)9(13)14;7-5-3-1-2-4-6(5)8;/h1-3H,4H2,(H,11,12)(H,13,14);5-8H,1-4H2;/q;-2;+4/p-2.
What are the key properties of (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+)?
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+) has a molecular weight of 530.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)-6-nitrobenzoate;platinum(4+) is sourced from PubChem (CID 24843064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).