2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum

C12H22N2O4Pt — CID 88513685

IUPAC2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum
SMILESCCC(N)CCC(N)C1CCC1(C(=O)O)C(=O)O.[Pt]
InChIInChI=1S/C12H22N2O4.Pt/c1-2-7(13)3-4-9(14)8-5-6-12(8,10(15)16)11(17)18;/h7-9H,2-6,13-14H2,1H3,(H,15,16)(H,17,18);
InChIKeyMFDVIIBRYXSTBC-UHFFFAOYSA-N
MW453.40 g/mol
LogP0.39
Rot. Bonds7

About 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum

2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum (PubChem CID 88513685) has the molecular formula C12H22N2O4Pt and a molecular weight of 453.40 g/mol. Its IUPAC name is 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum.

Molecular Properties

Compound Name2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum
PubChem CID88513685
Molecular FormulaC12H22N2O4Pt
Molecular Weight453.40 g/mol
Exact Mass453.12
IUPAC Name2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum
SMILESCCC(N)CCC(N)C1CCC1(C(=O)O)C(=O)O.[Pt]
InChIInChI=1S/C12H22N2O4.Pt/c1-2-7(13)3-4-9(14)8-5-6-12(8,10(15)16)11(17)18;/h7-9H,2-6,13-14H2,1H3,(H,15,16)(H,17,18);
InChIKeyMFDVIIBRYXSTBC-UHFFFAOYSA-N
XLogP0.39
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum?
The IUPAC name of 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum (CID 88513685) is 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum.
What is the SMILES notation for 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum?
The canonical SMILES for 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum is CCC(N)CCC(N)C1CCC1(C(=O)O)C(=O)O.[Pt].
What is the InChIKey of 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum?
The InChIKey is MFDVIIBRYXSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.Pt/c1-2-7(13)3-4-9(14)8-5-6-12(8,10(15)16)11(17)18;/h7-9H,2-6,13-14H2,1H3,(H,15,16)(H,17,18);.
What are the key properties of 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum?
2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum has a molecular weight of 453.40 g/mol, XLogP of 0.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum is sourced from PubChem (CID 88513685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).