azane;azetidine-3,3-dicarboxylic acid;platinum

C5H13N3O4Pt — CID 170540067

IUPACazane;azetidine-3,3-dicarboxylic acid;platinum
SMILESN.N.O=C(O)C1(C(=O)O)CNC1.[Pt]
InChIInChI=1S/C5H7NO4.2H3N.Pt/c7-3(8)5(4(9)10)1-6-2-5;;;/h6H,1-2H2,(H,7,8)(H,9,10);2*1H3;
InChIKeyBTLQZTAYGZZNCL-UHFFFAOYSA-N
MW374.25 g/mol
LogP-0.93
Rot. Bonds2

About azane;azetidine-3,3-dicarboxylic acid;platinum

azane;azetidine-3,3-dicarboxylic acid;platinum (PubChem CID 170540067) has the molecular formula C5H13N3O4Pt and a molecular weight of 374.25 g/mol. Its IUPAC name is azane;azetidine-3,3-dicarboxylic acid;platinum.

Molecular Properties

Compound Nameazane;azetidine-3,3-dicarboxylic acid;platinum
PubChem CID170540067
Molecular FormulaC5H13N3O4Pt
Molecular Weight374.25 g/mol
Exact Mass374.06
IUPAC Nameazane;azetidine-3,3-dicarboxylic acid;platinum
SMILESN.N.O=C(O)C1(C(=O)O)CNC1.[Pt]
InChIInChI=1S/C5H7NO4.2H3N.Pt/c7-3(8)5(4(9)10)1-6-2-5;;;/h6H,1-2H2,(H,7,8)(H,9,10);2*1H3;
InChIKeyBTLQZTAYGZZNCL-UHFFFAOYSA-N
XLogP-0.93
TPSA156.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
azane;cyclobutane-1,1-dicarboxylic acid;methane;platinum
CID 161144544
ethane;3-fluoroazetidine-3-carboxylic acid
CID 144523535
3-(diethylamino)azetidine-3-carboxylic acid
CID 105435137
7-azaspiro[3.5]nonane-2,2-dicarboxylic acid
CID 171616825
adamantane-1-carboxylic acid;cobalt
CID 174948331
5-methyl-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167729441
CID 69418768
CID 69418768
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclopentane-1,1,2,2,4,4-hexacarboxylic acid
CID 101297823
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229

Frequently Asked Questions

What is the IUPAC name of azane;azetidine-3,3-dicarboxylic acid;platinum?
The IUPAC name of azane;azetidine-3,3-dicarboxylic acid;platinum (CID 170540067) is azane;azetidine-3,3-dicarboxylic acid;platinum.
What is the SMILES notation for azane;azetidine-3,3-dicarboxylic acid;platinum?
The canonical SMILES for azane;azetidine-3,3-dicarboxylic acid;platinum is N.N.O=C(O)C1(C(=O)O)CNC1.[Pt].
What is the InChIKey of azane;azetidine-3,3-dicarboxylic acid;platinum?
The InChIKey is BTLQZTAYGZZNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4.2H3N.Pt/c7-3(8)5(4(9)10)1-6-2-5;;;/h6H,1-2H2,(H,7,8)(H,9,10);2*1H3;.
What are the key properties of azane;azetidine-3,3-dicarboxylic acid;platinum?
azane;azetidine-3,3-dicarboxylic acid;platinum has a molecular weight of 374.25 g/mol, XLogP of -0.93, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;azetidine-3,3-dicarboxylic acid;platinum is sourced from PubChem (CID 170540067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).