2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine

C11H16N2O4Pt — CID 11980320

IUPAC2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine
SMILESCCC(C(=O)O)C(=O)O.NCc1ccccn1.[Pt]
InChIInChI=1S/C6H8N2.C5H8O4.Pt/c7-5-6-3-1-2-4-8-6;1-2-3(4(6)7)5(8)9;/h1-4H,5,7H2;3H,2H2,1H3,(H,6,7)(H,8,9);
InChIKeyGDNIQHLBGQOPSG-UHFFFAOYSA-N
MW435.34 g/mol
LogP0.72
Rot. Bonds4

About 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine

2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine (PubChem CID 11980320) has the molecular formula C11H16N2O4Pt and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine.

Molecular Properties

Compound Name2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine
PubChem CID11980320
Molecular FormulaC11H16N2O4Pt
Molecular Weight435.34 g/mol
Exact Mass435.08
IUPAC Name2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine
SMILESCCC(C(=O)O)C(=O)O.NCc1ccccn1.[Pt]
InChIInChI=1S/C6H8N2.C5H8O4.Pt/c7-5-6-3-1-2-4-8-6;1-2-3(4(6)7)5(8)9;/h1-4H,5,7H2;3H,2H2,1H3,(H,6,7)(H,8,9);
InChIKeyGDNIQHLBGQOPSG-UHFFFAOYSA-N
XLogP0.72
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 90791011
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4-amino-1-pyridin-2-ylhexan-2-one
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2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
CID 160801912
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CID 105355671
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
butanoic acid;pyridin-2-ylmethanol
CID 21117383
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863

Frequently Asked Questions

What is the IUPAC name of 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine?
The IUPAC name of 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine (CID 11980320) is 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine.
What is the SMILES notation for 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine?
The canonical SMILES for 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine is CCC(C(=O)O)C(=O)O.NCc1ccccn1.[Pt].
What is the InChIKey of 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine?
The InChIKey is GDNIQHLBGQOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C5H8O4.Pt/c7-5-6-3-1-2-4-8-6;1-2-3(4(6)7)5(8)9;/h1-4H,5,7H2;3H,2H2,1H3,(H,6,7)(H,8,9);.
What are the key properties of 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine?
2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine has a molecular weight of 435.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropanedioic acid;platinum;pyridin-2-ylmethanamine is sourced from PubChem (CID 11980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).