[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid

C11H22N2O6Pt — CID 6918271

IUPAC[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid
SMILESCC(C)C1O[C@H](CN)[C@@H](CN)O1.O=C(O)CC(=O)O.[Pt]
InChIInChI=1S/C8H18N2O2.C3H4O4.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;4-2(5)1-3(6)7;/h5-8H,3-4,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7);/t6-,7-;;/m1../s1
InChIKeyAINAHBKLRQMAFW-GPJOBVNKSA-N
MW473.38 g/mol
LogP-0.79
Rot. Bonds5

About [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid

[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid (PubChem CID 6918271) has the molecular formula C11H22N2O6Pt and a molecular weight of 473.38 g/mol. Its IUPAC name is [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid.

Molecular Properties

Compound Name[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid
PubChem CID6918271
Molecular FormulaC11H22N2O6Pt
Molecular Weight473.38 g/mol
Exact Mass473.11
IUPAC Name[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid
SMILESCC(C)C1O[C@H](CN)[C@@H](CN)O1.O=C(O)CC(=O)O.[Pt]
InChIInChI=1S/C8H18N2O2.C3H4O4.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;4-2(5)1-3(6)7;/h5-8H,3-4,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7);/t6-,7-;;/m1../s1
InChIKeyAINAHBKLRQMAFW-GPJOBVNKSA-N
XLogP-0.79
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid?
The IUPAC name of [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid (CID 6918271) is [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid.
What is the SMILES notation for [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid?
The canonical SMILES for [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid is CC(C)C1O[C@H](CN)[C@@H](CN)O1.O=C(O)CC(=O)O.[Pt].
What is the InChIKey of [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid?
The InChIKey is AINAHBKLRQMAFW-GPJOBVNKSA-N. The full InChI is InChI=1S/C8H18N2O2.C3H4O4.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;4-2(5)1-3(6)7;/h5-8H,3-4,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7);/t6-,7-;;/m1../s1.
What are the key properties of [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid?
[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid has a molecular weight of 473.38 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum;propanedioic acid is sourced from PubChem (CID 6918271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).