2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)

C14H17N3O4Pt — CID 42633210

IUPAC2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)
SMILESO=C([O-])C1(C(=O)[O-])CN(Cc2ccccc2)C1.[NH-]CC[NH-].[Pt+4]
InChIInChI=1S/C12H13NO4.C2H6N2.Pt/c14-10(15)12(11(16)17)7-13(8-12)6-9-4-2-1-3-5-9;3-1-2-4;/h1-5H,6-8H2,(H,14,15)(H,16,17);3-4H,1-2H2;/q;-2;+4/p-2
InChIKeyZJJIOZSNJDWJAR-UHFFFAOYSA-L
MW486.39 g/mol
LogP-0.92
Rot. Bonds5

About 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)

2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+) (PubChem CID 42633210) has the molecular formula C14H17N3O4Pt and a molecular weight of 486.39 g/mol. Its IUPAC name is 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+).

Molecular Properties

Compound Name2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)
PubChem CID42633210
Molecular FormulaC14H17N3O4Pt
Molecular Weight486.39 g/mol
Exact Mass486.09
IUPAC Name2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)
SMILESO=C([O-])C1(C(=O)[O-])CN(Cc2ccccc2)C1.[NH-]CC[NH-].[Pt+4]
InChIInChI=1S/C12H13NO4.C2H6N2.Pt/c14-10(15)12(11(16)17)7-13(8-12)6-9-4-2-1-3-5-9;3-1-2-4;/h1-5H,6-8H2,(H,14,15)(H,16,17);3-4H,1-2H2;/q;-2;+4/p-2
InChIKeyZJJIOZSNJDWJAR-UHFFFAOYSA-L
XLogP-0.92
TPSA131.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.39
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-1-benzylazetidine-3-carboxylic acid
CID 150018898
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
CID 135038184
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
CID 21041169
CID 21041169
3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
CID 4177416
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2S,4S)-1-benzyl-2,4-diethylazetidine-2,4-dicarboxylate
CID 135393408

Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)?
The IUPAC name of 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+) (CID 42633210) is 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+).
What is the SMILES notation for 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)?
The canonical SMILES for 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+) is O=C([O-])C1(C(=O)[O-])CN(Cc2ccccc2)C1.[NH-]CC[NH-].[Pt+4].
What is the InChIKey of 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)?
The InChIKey is ZJJIOZSNJDWJAR-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13NO4.C2H6N2.Pt/c14-10(15)12(11(16)17)7-13(8-12)6-9-4-2-1-3-5-9;3-1-2-4;/h1-5H,6-8H2,(H,14,15)(H,16,17);3-4H,1-2H2;/q;-2;+4/p-2.
What are the key properties of 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+)?
2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+) has a molecular weight of 486.39 g/mol, XLogP of -0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;1-benzylazetidine-3,3-dicarboxylate;platinum(4+) is sourced from PubChem (CID 42633210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).