copper bis(2-(octanoylamino)acetate)

C20H36CuN2O6 — CID 88618270

IUPACcopper bis(2-(octanoylamino)acetate)
SMILESCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCC(=O)NCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C10H19NO3.Cu/c2*1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2*2-8H2,1H3,(H,11,12)(H,13,14);/q;;+2/p-2
InChIKeyUMERFQQASJFFJP-UHFFFAOYSA-L
MW464.06 g/mol
LogP0.42
Rot. Bonds16

About copper bis(2-(octanoylamino)acetate)

copper bis(2-(octanoylamino)acetate) (PubChem CID 88618270) has the molecular formula C20H36CuN2O6 and a molecular weight of 464.06 g/mol. Its IUPAC name is copper bis(2-(octanoylamino)acetate).

Molecular Properties

Compound Namecopper bis(2-(octanoylamino)acetate)
PubChem CID88618270
Molecular FormulaC20H36CuN2O6
Molecular Weight464.06 g/mol
Exact Mass463.19
IUPAC Namecopper bis(2-(octanoylamino)acetate)
SMILESCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCC(=O)NCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C10H19NO3.Cu/c2*1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2*2-8H2,1H3,(H,11,12)(H,13,14);/q;;+2/p-2
InChIKeyUMERFQQASJFFJP-UHFFFAOYSA-L
XLogP0.42
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.06
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
sodium 2-(decanoylamino)acetate
CID 23716190
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
N-(hydroxymethyl)henicosanamide
CID 102116485
zinc bis(2-(butanoylamino)acetate)
CID 157281731
calcium bis(3-(hexadecanoylamino)propanoate)
CID 139890538
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(octanoylamino)acetate)?
The IUPAC name of copper bis(2-(octanoylamino)acetate) (CID 88618270) is copper bis(2-(octanoylamino)acetate).
What is the SMILES notation for copper bis(2-(octanoylamino)acetate)?
The canonical SMILES for copper bis(2-(octanoylamino)acetate) is CCCCCCCC(=O)NCC(=O)[O-].CCCCCCCC(=O)NCC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(2-(octanoylamino)acetate)?
The InChIKey is UMERFQQASJFFJP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H19NO3.Cu/c2*1-2-3-4-5-6-7-9(12)11-8-10(13)14;/h2*2-8H2,1H3,(H,11,12)(H,13,14);/q;;+2/p-2.
What are the key properties of copper bis(2-(octanoylamino)acetate)?
copper bis(2-(octanoylamino)acetate) has a molecular weight of 464.06 g/mol, XLogP of 0.42, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(octanoylamino)acetate) is sourced from PubChem (CID 88618270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).