azane;carboxy acetate;copper

C3H7CuNO4 — CID 175513331

IUPACazane;carboxy acetate;copper
SMILESCC(=O)OC(=O)O.N.[Cu]
InChIInChI=1S/C3H4O4.Cu.H3N/c1-2(4)7-3(5)6;;/h1H3,(H,5,6);;1H3
InChIKeyIKXQDEBWZOCTPB-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.39
Rot. Bonds

About azane;carboxy acetate;copper

azane;carboxy acetate;copper (PubChem CID 175513331) has the molecular formula C3H7CuNO4 and a molecular weight of 184.64 g/mol. Its IUPAC name is azane;carboxy acetate;copper.

Molecular Properties

Compound Nameazane;carboxy acetate;copper
PubChem CID175513331
Molecular FormulaC3H7CuNO4
Molecular Weight184.64 g/mol
Exact Mass183.97
IUPAC Nameazane;carboxy acetate;copper
SMILESCC(=O)OC(=O)O.N.[Cu]
InChIInChI=1S/C3H4O4.Cu.H3N/c1-2(4)7-3(5)6;;/h1H3,(H,5,6);;1H3
InChIKeyIKXQDEBWZOCTPB-UHFFFAOYSA-N
XLogP0.39
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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acetyl acetate;chromium(2+)
CID 19978523
dicalcium;acetyl acetate;hydride
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acetyl acetate;zinc;dihydrate
CID 174593639
aluminum;acetyl acetate;trichloride
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azane;sulfanyl acetate
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copper;bis([(E)-2-hydroxy-4-oxopent-2-en-3-yl] acetate)
CID 5363727
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179

Frequently Asked Questions

What is the IUPAC name of azane;carboxy acetate;copper?
The IUPAC name of azane;carboxy acetate;copper (CID 175513331) is azane;carboxy acetate;copper.
What is the SMILES notation for azane;carboxy acetate;copper?
The canonical SMILES for azane;carboxy acetate;copper is CC(=O)OC(=O)O.N.[Cu].
What is the InChIKey of azane;carboxy acetate;copper?
The InChIKey is IKXQDEBWZOCTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.Cu.H3N/c1-2(4)7-3(5)6;;/h1H3,(H,5,6);;1H3.
What are the key properties of azane;carboxy acetate;copper?
azane;carboxy acetate;copper has a molecular weight of 184.64 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carboxy acetate;copper is sourced from PubChem (CID 175513331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).