2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum

C11H22N2O6Pt — CID 11947711

IUPAC2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum
SMILESNCC(CN)(CO)CO.O=C(O)C1(C(=O)O)CCC1.[Pt]
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;
InChIKeyOOMDVERDMZLRFX-UHFFFAOYSA-N
MW473.38 g/mol
LogP-1.80
Rot. Bonds6

About 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum

2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum (PubChem CID 11947711) has the molecular formula C11H22N2O6Pt and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum.

Molecular Properties

Compound Name2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum
PubChem CID11947711
Molecular FormulaC11H22N2O6Pt
Molecular Weight473.38 g/mol
Exact Mass473.11
IUPAC Name2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum
SMILESNCC(CN)(CO)CO.O=C(O)C1(C(=O)O)CCC1.[Pt]
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;
InChIKeyOOMDVERDMZLRFX-UHFFFAOYSA-N
XLogP-1.80
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 5-1.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-dicarboxylic acid;platinum?
The IUPAC name of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum (CID 11947711) is 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum.
What is the SMILES notation for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum?
The canonical SMILES for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum is NCC(CN)(CO)CO.O=C(O)C1(C(=O)O)CCC1.[Pt].
What is the InChIKey of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum?
The InChIKey is OOMDVERDMZLRFX-UHFFFAOYSA-N. 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;.
What are the key properties of 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum?
2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum has a molecular weight of 473.38 g/mol, XLogP of -1.80, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)propane-1,3-diol;cyclobutane-1,1-dicarboxylic acid;platinum is sourced from PubChem (CID 11947711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).