zinc bis(2-(butanoylamino)acetate)

C12H20N2O6Zn — CID 157281731

IUPACzinc bis(2-(butanoylamino)acetate)
SMILESCCCC(=O)NCC(=O)[O-].CCCC(=O)NCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C6H11NO3.Zn/c2*1-2-3-5(8)7-4-6(9)10;/h2*2-4H2,1H3,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyAZSYAGZKRVZEMD-UHFFFAOYSA-L
MW353.69 g/mol
LogP-2.70
Rot. Bonds8

About zinc bis(2-(butanoylamino)acetate)

zinc bis(2-(butanoylamino)acetate) (PubChem CID 157281731) has the molecular formula C12H20N2O6Zn and a molecular weight of 353.69 g/mol. Its IUPAC name is zinc bis(2-(butanoylamino)acetate).

Molecular Properties

Compound Namezinc bis(2-(butanoylamino)acetate)
PubChem CID157281731
Molecular FormulaC12H20N2O6Zn
Molecular Weight353.69 g/mol
Exact Mass352.06
IUPAC Namezinc bis(2-(butanoylamino)acetate)
SMILESCCCC(=O)NCC(=O)[O-].CCCC(=O)NCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C6H11NO3.Zn/c2*1-2-3-5(8)7-4-6(9)10;/h2*2-4H2,1H3,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyAZSYAGZKRVZEMD-UHFFFAOYSA-L
XLogP-2.70
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 5-2.70
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

disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
2-[[4-[2-(diethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]acetate
CID 39290164
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
2-[[2-(methylazaniumyl)acetyl]amino]acetate
CID 7021858
2-[[2-[butyl(methyl)azaniumyl]acetyl]amino]acetate
CID 39257974
N-ethylbutanamide;methanimine
CID 142280316
azanium 2-[(2-aminoacetyl)amino]acetate
CID 172849097
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-(butanoylamino)acetate)?
The IUPAC name of zinc bis(2-(butanoylamino)acetate) (CID 157281731) is zinc bis(2-(butanoylamino)acetate).
What is the SMILES notation for zinc bis(2-(butanoylamino)acetate)?
The canonical SMILES for zinc bis(2-(butanoylamino)acetate) is CCCC(=O)NCC(=O)[O-].CCCC(=O)NCC(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-(butanoylamino)acetate)?
The InChIKey is AZSYAGZKRVZEMD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11NO3.Zn/c2*1-2-3-5(8)7-4-6(9)10;/h2*2-4H2,1H3,(H,7,8)(H,9,10);/q;;+2/p-2.
What are the key properties of zinc bis(2-(butanoylamino)acetate)?
zinc bis(2-(butanoylamino)acetate) has a molecular weight of 353.69 g/mol, XLogP of -2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-(butanoylamino)acetate) is sourced from PubChem (CID 157281731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).