[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

C13H22N2O5Pt — CID 85056132

IUPAC[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
SMILESO=C(O)C1(C(=O)O)CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2
InChIKeyPBIBUIIDEGWBGX-UHFFFAOYSA-N
MW481.41 g/mol
LogP2.21
Rot. Bonds4

About [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)

[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+) (PubChem CID 85056132) has the molecular formula C13H22N2O5Pt and a molecular weight of 481.41 g/mol. Its IUPAC name is [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+).

Molecular Properties

Compound Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
PubChem CID85056132
Molecular FormulaC13H22N2O5Pt
Molecular Weight481.41 g/mol
Exact Mass481.12
IUPAC Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
SMILESO=C(O)C1(C(=O)O)CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2
InChIKeyPBIBUIIDEGWBGX-UHFFFAOYSA-N
XLogP2.21
TPSA131.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Enloplatin
CID 68737
Unii-C7HT2IO79H
CID 56840924
[2-(Azanidylmethyl)-3-hydroxy-2-(hydroxymethyl)propyl]azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
CID 129631898
[4-(Azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
CID 129631912
Zeniplatin [mart.]
CID 14537213
2,2-Bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum
CID 60505
[4-(Azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
CID 9869808
CID 11947711
CID 11947711
CID 50936387
CID 50936387
[2-(Azanidylmethyl)-3-hydroxy-2-(hydroxymethyl)propyl]azanide;cyclobutane-1,1-dicarboxylate;platinum(4+)
CID 76418701
[4-(Azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)
CID 76418711
Cyclobutane-1,1-dicarboxylic acid;(4-ethyloxan-4-yl)methylazanide;platinum(2+)
CID 147713801

Frequently Asked Questions

What is the IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)?
The IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+) (CID 85056132) is [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+).
What is the SMILES notation for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)?
The canonical SMILES for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+) is O=C(O)C1(C(=O)O)CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+2].
What is the InChIKey of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)?
The InChIKey is PBIBUIIDEGWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+2.
What are the key properties of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)?
[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+) has a molecular weight of 481.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+) is sourced from PubChem (CID 85056132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).