2-acetylpropanedioic acid;azanide;methane;platinum(2+)

C6H14N2O5Pt — CID 158389858

IUPAC2-acetylpropanedioic acid;azanide;methane;platinum(2+)
SMILESC.CC(=O)C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/C5H6O5.CH4.2H2N.Pt/c1-2(6)3(4(7)8)5(9)10;;;;/h3H,1H3,(H,7,8)(H,9,10);1H4;2*1H2;/q;;2*-1;+2
InChIKeyOEEXMSCZSBIBJU-UHFFFAOYSA-N
MW389.27 g/mol
LogP1.43
Rot. Bonds3

About 2-acetylpropanedioic acid;azanide;methane;platinum(2+)

2-acetylpropanedioic acid;azanide;methane;platinum(2+) (PubChem CID 158389858) has the molecular formula C6H14N2O5Pt and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-acetylpropanedioic acid;azanide;methane;platinum(2+).

Molecular Properties

Compound Name2-acetylpropanedioic acid;azanide;methane;platinum(2+)
PubChem CID158389858
Molecular FormulaC6H14N2O5Pt
Molecular Weight389.27 g/mol
Exact Mass389.06
IUPAC Name2-acetylpropanedioic acid;azanide;methane;platinum(2+)
SMILESC.CC(=O)C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
InChIInChI=1S/C5H6O5.CH4.2H2N.Pt/c1-2(6)3(4(7)8)5(9)10;;;;/h3H,1H3,(H,7,8)(H,9,10);1H4;2*1H2;/q;;2*-1;+2
InChIKeyOEEXMSCZSBIBJU-UHFFFAOYSA-N
XLogP1.43
TPSA158.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetylpropanedioic acid;azanide;methane;platinum(2+)?
The IUPAC name of 2-acetylpropanedioic acid;azanide;methane;platinum(2+) (CID 158389858) is 2-acetylpropanedioic acid;azanide;methane;platinum(2+).
What is the SMILES notation for 2-acetylpropanedioic acid;azanide;methane;platinum(2+)?
The canonical SMILES for 2-acetylpropanedioic acid;azanide;methane;platinum(2+) is C.CC(=O)C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2].
What is the InChIKey of 2-acetylpropanedioic acid;azanide;methane;platinum(2+)?
The InChIKey is OEEXMSCZSBIBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5.CH4.2H2N.Pt/c1-2(6)3(4(7)8)5(9)10;;;;/h3H,1H3,(H,7,8)(H,9,10);1H4;2*1H2;/q;;2*-1;+2.
What are the key properties of 2-acetylpropanedioic acid;azanide;methane;platinum(2+)?
2-acetylpropanedioic acid;azanide;methane;platinum(2+) has a molecular weight of 389.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylpropanedioic acid;azanide;methane;platinum(2+) is sourced from PubChem (CID 158389858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).