2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)

C16H28N2O5Pt — CID 58519217

IUPAC2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)
SMILESCCC(C)(C)C(=O)NC(C(=O)O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C9H15NO5.C7H13N.Pt/c1-4-9(2,3)8(15)10-5(6(11)12)7(13)14;1-6-4-2-3-5-7(6)8;/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14);6-8H,1-5H2;/q;-2;+2
InChIKeyOJMPLMFBSVDPIK-UHFFFAOYSA-N
MW523.49 g/mol
LogP2.51
Rot. Bonds5

About 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)

2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+) (PubChem CID 58519217) has the molecular formula C16H28N2O5Pt and a molecular weight of 523.49 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+).

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)
PubChem CID58519217
Molecular FormulaC16H28N2O5Pt
Molecular Weight523.49 g/mol
Exact Mass523.16
IUPAC Name2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)
SMILESCCC(C)(C)C(=O)NC(C(=O)O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/C9H15NO5.C7H13N.Pt/c1-4-9(2,3)8(15)10-5(6(11)12)7(13)14;1-6-4-2-3-5-7(6)8;/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14);6-8H,1-5H2;/q;-2;+2
InChIKeyOJMPLMFBSVDPIK-UHFFFAOYSA-N
XLogP2.51
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)?
The IUPAC name of 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+) (CID 58519217) is 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+).
What is the SMILES notation for 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)?
The canonical SMILES for 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+) is CCC(C)(C)C(=O)NC(C(=O)O)C(=O)O.[CH2-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)?
The InChIKey is OJMPLMFBSVDPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5.C7H13N.Pt/c1-4-9(2,3)8(15)10-5(6(11)12)7(13)14;1-6-4-2-3-5-7(6)8;/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14);6-8H,1-5H2;/q;-2;+2.
What are the key properties of 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+)?
2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+) has a molecular weight of 523.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylamino)propanedioic acid;(2-methanidylcyclohexyl)azanide;platinum(2+) is sourced from PubChem (CID 58519217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).