cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine

C11H20N2O4Pt+2 — CID 58783103

IUPACcyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1.O=C(O)C1(C(=O)O)CCC1.[Pt+2]
InChIInChI=1S/C6H8O4.C5H12N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5,7H,1-4,6H2;/q;;+2/t;5-;/m.0./s1
InChIKeyXXUHLUDUCZQMDI-NXAOXGSFSA-N
MW439.37 g/mol
LogP0.02
Rot. Bonds3

About cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine

cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 58783103) has the molecular formula C11H20N2O4Pt+2 and a molecular weight of 439.37 g/mol. Its IUPAC name is cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Namecyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID58783103
Molecular FormulaC11H20N2O4Pt+2
Molecular Weight439.37 g/mol
Exact Mass439.11
IUPAC Namecyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1.O=C(O)C1(C(=O)O)CCC1.[Pt+2]
InChIInChI=1S/C6H8O4.C5H12N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5,7H,1-4,6H2;/q;;+2/t;5-;/m.0./s1
InChIKeyXXUHLUDUCZQMDI-NXAOXGSFSA-N
XLogP0.02
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 54308072
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
(4-azanidylcyclohexyl)azanide;cyclobutane-1,1-dicarboxylic acid;platinum(2+)
CID 24812607
CID 69418768
CID 69418768
tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
CID 174792425
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
CID 153347426
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 113293895

Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine (CID 58783103) is cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1.O=C(O)C1(C(=O)O)CCC1.[Pt+2].
What is the InChIKey of cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is XXUHLUDUCZQMDI-NXAOXGSFSA-N. The full InChI is InChI=1S/C6H8O4.C5H12N2.Pt/c7-4(8)6(5(9)10)2-1-3-6;6-4-5-2-1-3-7-5;/h1-3H2,(H,7,8)(H,9,10);5,7H,1-4,6H2;/q;;+2/t;5-;/m.0./s1.
What are the key properties of cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine?
cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 439.37 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 58783103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).