bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)

C22H40N4O6Pt — CID 131887682

IUPACbis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
SMILESCC(=O)NC(CC(C)C)C(=O)[O-].CC(=O)NC(CC(C)C)C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C8H15NO3.C6H12N2.Pt/c2*1-5(2)4-7(8(11)12)9-6(3)10;7-5-3-1-2-4-6(5)8;/h2*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);5-8H,1-4H2;/q;;-2;+4/p-2
InChIKeyBJZRWSGJFINNOH-UHFFFAOYSA-L
MW651.66 g/mol
LogP0.97
Rot. Bonds8

About bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)

bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+) (PubChem CID 131887682) has the molecular formula C22H40N4O6Pt and a molecular weight of 651.66 g/mol. Its IUPAC name is bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+).

Molecular Properties

Compound Namebis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
PubChem CID131887682
Molecular FormulaC22H40N4O6Pt
Molecular Weight651.66 g/mol
Exact Mass651.26
IUPAC Namebis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)
SMILESCC(=O)NC(CC(C)C)C(=O)[O-].CC(=O)NC(CC(C)C)C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/2C8H15NO3.C6H12N2.Pt/c2*1-5(2)4-7(8(11)12)9-6(3)10;7-5-3-1-2-4-6(5)8;/h2*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);5-8H,1-4H2;/q;;-2;+4/p-2
InChIKeyBJZRWSGJFINNOH-UHFFFAOYSA-L
XLogP0.97
TPSA186.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.66
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)?
The IUPAC name of bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+) (CID 131887682) is bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+).
What is the SMILES notation for bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)?
The canonical SMILES for bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+) is CC(=O)NC(CC(C)C)C(=O)[O-].CC(=O)NC(CC(C)C)C(=O)[O-].[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)?
The InChIKey is BJZRWSGJFINNOH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H15NO3.C6H12N2.Pt/c2*1-5(2)4-7(8(11)12)9-6(3)10;7-5-3-1-2-4-6(5)8;/h2*5,7H,4H2,1-3H3,(H,9,10)(H,11,12);5-8H,1-4H2;/q;;-2;+4/p-2.
What are the key properties of bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+)?
bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+) has a molecular weight of 651.66 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetamido-4-methylpentanoate);(2-azanidylcyclohexyl)azanide;platinum(4+) is sourced from PubChem (CID 131887682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).