tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride

C16H35Cl3N8O8Zr — CID 173302758

IUPACtetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride
SMILESC/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.Cl.Cl.Cl.[Zr]
InChIInChI=1S/4C4H8N2O2.3ClH.Zr/c4*1-5-3(6-2)4(7)8;;;;/h4*1-2H3,(H,5,6)(H,7,8);3*1H;
InChIKeyNVKKAEUPGNNYCC-UHFFFAOYSA-N
MW665.09 g/mol
LogP-1.46
Rot. Bonds

About tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride

tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride (PubChem CID 173302758) has the molecular formula C16H35Cl3N8O8Zr and a molecular weight of 665.09 g/mol. Its IUPAC name is tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride.

Molecular Properties

Compound Nametetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride
PubChem CID173302758
Molecular FormulaC16H35Cl3N8O8Zr
Molecular Weight665.09 g/mol
Exact Mass662.07
IUPAC Nametetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride
SMILESC/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.Cl.Cl.Cl.[Zr]
InChIInChI=1S/4C4H8N2O2.3ClH.Zr/c4*1-5-3(6-2)4(7)8;;;;/h4*1-2H3,(H,5,6)(H,7,8);3*1H;
InChIKeyNVKKAEUPGNNYCC-UHFFFAOYSA-N
XLogP-1.46
TPSA246.76 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.09
LogP ≤ 5-1.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride 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

acetic acid;N,N'-dimethylethanimidamide
CID 162316953
3-(methylamino)-N,2,3-tris(methylimino)propanamide
CID 172996519
2-(hydroxyamino)-N,N-dimethyl-2-methyliminoacetamide
CID 144893888
methylcarbamic acid;methylimino(oxo)methane
CID 161055798
N,N'-dimethylethanimidamide;ethane
CID 176553571
carbonic acid;N-methylmethanamine
CID 173471204
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;hydrochloride
CID 173369286
2-methylimino-3-oxobutanoic acid
CID 58637224
1-methyl-3-(methylcarbamoylimino)urea
CID 54078359
methylurea;hydrate;hydrochloride
CID 172734420

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride?
The IUPAC name of tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride (CID 173302758) is tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride.
What is the SMILES notation for tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride?
The canonical SMILES for tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride is C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.C/N=C(/NC)C(=O)O.Cl.Cl.Cl.[Zr].
What is the InChIKey of tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride?
The InChIKey is NVKKAEUPGNNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H8N2O2.3ClH.Zr/c4*1-5-3(6-2)4(7)8;;;;/h4*1-2H3,(H,5,6)(H,7,8);3*1H;.
What are the key properties of tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride?
tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride has a molecular weight of 665.09 g/mol, XLogP of -1.46, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(methylamino)-2-methyliminoacetic acid);zirconium;trihydrochloride is sourced from PubChem (CID 173302758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).