zinc bis(3-aminopropanoate)

C6H12N2O4Zn — CID 87686720

IUPACzinc bis(3-aminopropanoate)
SMILESNCCC(=O)[O-].NCCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C3H7NO2.Zn/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2
InChIKeyIHIVNHJCSWRGLZ-UHFFFAOYSA-L
MW241.56 g/mol
LogP-3.83
Rot. Bonds4

About zinc bis(3-aminopropanoate)

zinc bis(3-aminopropanoate) (PubChem CID 87686720) has the molecular formula C6H12N2O4Zn and a molecular weight of 241.56 g/mol. Its IUPAC name is zinc bis(3-aminopropanoate).

Molecular Properties

Compound Namezinc bis(3-aminopropanoate)
PubChem CID87686720
Molecular FormulaC6H12N2O4Zn
Molecular Weight241.56 g/mol
Exact Mass240.01
IUPAC Namezinc bis(3-aminopropanoate)
SMILESNCCC(=O)[O-].NCCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C3H7NO2.Zn/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2
InChIKeyIHIVNHJCSWRGLZ-UHFFFAOYSA-L
XLogP-3.83
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.56
LogP ≤ 5-3.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azanium 3-aminopropanoate
CID 156782733
calcium bis(3-aminopropanoate)
CID 135001381
zinc;ethane-1,2-diamine;carbonate
CID 88673860
copper;zinc;bis(butanedioate)
CID 159835693
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
iodanium 5-aminopentanoate
CID 162316795
tris(11-aminoundecanoate);gold(3+)
CID 173276062
bis(butanedioate);osmium(4+)
CID 159559487
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
ethane-1,2-diamine;nickel(2+);acetate
CID 23344047
copper;ethane-1,2-diamine;diacetate
CID 160578350

Frequently Asked Questions

What is the IUPAC name of zinc bis(3-aminopropanoate)?
The IUPAC name of zinc bis(3-aminopropanoate) (CID 87686720) is zinc bis(3-aminopropanoate).
What is the SMILES notation for zinc bis(3-aminopropanoate)?
The canonical SMILES for zinc bis(3-aminopropanoate) is NCCC(=O)[O-].NCCC(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(3-aminopropanoate)?
The InChIKey is IHIVNHJCSWRGLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7NO2.Zn/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2.
What are the key properties of zinc bis(3-aminopropanoate)?
zinc bis(3-aminopropanoate) has a molecular weight of 241.56 g/mol, XLogP of -3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(3-aminopropanoate) is sourced from PubChem (CID 87686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).