zinc;ethane-1,2-diamine;carbonate

C3H8N2O3Zn — CID 88673860

IUPACzinc;ethane-1,2-diamine;carbonate
SMILESNCCN.O=C([O-])[O-].[Zn+2]
InChIInChI=1S/C2H8N2.CH2O3.Zn/c3-1-2-4;2-1(3)4;/h1-4H2;(H2,2,3,4);/q;;+2/p-2
InChIKeyQZAPQGJVKCYCPE-UHFFFAOYSA-L
MW185.50 g/mol
LogP-3.55
Rot. Bonds1

About zinc;ethane-1,2-diamine;carbonate

zinc;ethane-1,2-diamine;carbonate (PubChem CID 88673860) has the molecular formula C3H8N2O3Zn and a molecular weight of 185.50 g/mol. Its IUPAC name is zinc;ethane-1,2-diamine;carbonate.

Molecular Properties

Compound Namezinc;ethane-1,2-diamine;carbonate
PubChem CID88673860
Molecular FormulaC3H8N2O3Zn
Molecular Weight185.50 g/mol
Exact Mass183.98
IUPAC Namezinc;ethane-1,2-diamine;carbonate
SMILESNCCN.O=C([O-])[O-].[Zn+2]
InChIInChI=1S/C2H8N2.CH2O3.Zn/c3-1-2-4;2-1(3)4;/h1-4H2;(H2,2,3,4);/q;;+2/p-2
InChIKeyQZAPQGJVKCYCPE-UHFFFAOYSA-L
XLogP-3.55
TPSA115.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.50
LogP ≤ 5-3.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze zinc;ethane-1,2-diamine;carbonate 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

diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
ethane-1,2-diamine;oxalate;platinum(2+)
CID 3038580
bis(ethane-1,2-diamine);oxalate;platinum(2+)
CID 175317539
copper;ethane-1,2-diamine;diacetate
CID 160578350
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
copper;aminomethanol;carbonate
CID 23118320
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
zinc bis(3-aminopropanoate)
CID 87686720
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365

Frequently Asked Questions

What is the IUPAC name of zinc;ethane-1,2-diamine;carbonate?
The IUPAC name of zinc;ethane-1,2-diamine;carbonate (CID 88673860) is zinc;ethane-1,2-diamine;carbonate.
What is the SMILES notation for zinc;ethane-1,2-diamine;carbonate?
The canonical SMILES for zinc;ethane-1,2-diamine;carbonate is NCCN.O=C([O-])[O-].[Zn+2].
What is the InChIKey of zinc;ethane-1,2-diamine;carbonate?
The InChIKey is QZAPQGJVKCYCPE-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8N2.CH2O3.Zn/c3-1-2-4;2-1(3)4;/h1-4H2;(H2,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;ethane-1,2-diamine;carbonate?
zinc;ethane-1,2-diamine;carbonate has a molecular weight of 185.50 g/mol, XLogP of -3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane-1,2-diamine;carbonate is sourced from PubChem (CID 88673860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).