amino 2,2-dihydroxyacetate;isoquinoline;platinum

C11H12N2O4Pt — CID 87850656

IUPACamino 2,2-dihydroxyacetate;isoquinoline;platinum
SMILESNOC(=O)C(O)O.[Pt].c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C2H5NO4.Pt/c1-2-4-9-7-10-6-5-8(9)3-1;3-7-2(6)1(4)5;/h1-7H;1,4-5H,3H2;
InChIKeyHXMXIBXXKGGDGK-UHFFFAOYSA-N
MW431.31 g/mol
LogP-0.05
Rot. Bonds1

About amino 2,2-dihydroxyacetate;isoquinoline;platinum

amino 2,2-dihydroxyacetate;isoquinoline;platinum (PubChem CID 87850656) has the molecular formula C11H12N2O4Pt and a molecular weight of 431.31 g/mol. Its IUPAC name is amino 2,2-dihydroxyacetate;isoquinoline;platinum.

Molecular Properties

Compound Nameamino 2,2-dihydroxyacetate;isoquinoline;platinum
PubChem CID87850656
Molecular FormulaC11H12N2O4Pt
Molecular Weight431.31 g/mol
Exact Mass431.04
IUPAC Nameamino 2,2-dihydroxyacetate;isoquinoline;platinum
SMILESNOC(=O)C(O)O.[Pt].c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C2H5NO4.Pt/c1-2-4-9-7-10-6-5-8(9)3-1;3-7-2(6)1(4)5;/h1-7H;1,4-5H,3H2;
InChIKeyHXMXIBXXKGGDGK-UHFFFAOYSA-N
XLogP-0.05
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2,2-dihydroxyacetate;isoquinoline;platinum?
The IUPAC name of amino 2,2-dihydroxyacetate;isoquinoline;platinum (CID 87850656) is amino 2,2-dihydroxyacetate;isoquinoline;platinum.
What is the SMILES notation for amino 2,2-dihydroxyacetate;isoquinoline;platinum?
The canonical SMILES for amino 2,2-dihydroxyacetate;isoquinoline;platinum is NOC(=O)C(O)O.[Pt].c1ccc2cnccc2c1.
What is the InChIKey of amino 2,2-dihydroxyacetate;isoquinoline;platinum?
The InChIKey is HXMXIBXXKGGDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H5NO4.Pt/c1-2-4-9-7-10-6-5-8(9)3-1;3-7-2(6)1(4)5;/h1-7H;1,4-5H,3H2;.
What are the key properties of amino 2,2-dihydroxyacetate;isoquinoline;platinum?
amino 2,2-dihydroxyacetate;isoquinoline;platinum has a molecular weight of 431.31 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2,2-dihydroxyacetate;isoquinoline;platinum is sourced from PubChem (CID 87850656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).