2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)

C11H20N2O6Pt — CID 14537213

IUPAC2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)
SMILESNCC(CN)(CO)CO.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
InChIInChI=1S/C6H8O4.C5H14N2O2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-1-5(2-7,3-8)4-9;/h1-3H2,(H,7,8)(H,9,10);8-9H,1-4,6-7H2;/q;;+2/p-2
InChIKeyNKUWPVYXJNSCQL-UHFFFAOYSA-L
MW471.37 g/mol
LogP-4.47
Rot. Bonds6

About 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)

2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+) (PubChem CID 14537213) has the molecular formula C11H20N2O6Pt and a molecular weight of 471.37 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+).

Molecular Properties

Compound Name2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)
PubChem CID14537213
Molecular FormulaC11H20N2O6Pt
Molecular Weight471.37 g/mol
Exact Mass471.10
IUPAC Name2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)
SMILESNCC(CN)(CO)CO.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
InChIInChI=1S/C6H8O4.C5H14N2O2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-1-5(2-7,3-8)4-9;/h1-3H2,(H,7,8)(H,9,10);8-9H,1-4,6-7H2;/q;;+2/p-2
InChIKeyNKUWPVYXJNSCQL-UHFFFAOYSA-L
XLogP-4.47
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 5-4.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The IUPAC name of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+) (CID 14537213) is 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+).
What is the SMILES notation for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The canonical SMILES for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+) is NCC(CN)(CO)CO.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2].
What is the InChIKey of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The InChIKey is NKUWPVYXJNSCQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O4.C5H14N2O2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-1-5(2-7,3-8)4-9;/h1-3H2,(H,7,8)(H,9,10);8-9H,1-4,6-7H2;/q;;+2/p-2.
What are the key properties of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+)?
2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+) has a molecular weight of 471.37 g/mol, XLogP of -4.47, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylate;platinum(2+) is sourced from PubChem (CID 14537213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).