copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)

C10H16CuN2O8+2 — CID 135964358

IUPACcopper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)
SMILESCOC(=O)C(O)=CC([NH3+])=O.COC(=O)C(O)=CC([NH3+])=O.[Cu]
InChIInChI=1S/2C5H7NO4.Cu/c2*1-10-5(9)3(7)2-4(6)8;/h2*2,7H,1H3,(H2,6,8);/p+2
InChIKeyNLRFNXIOYOOAJP-UHFFFAOYSA-P
MW355.79 g/mol
LogP-3.26
Rot. Bonds4

About copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)

copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium) (PubChem CID 135964358) has the molecular formula C10H16CuN2O8+2 and a molecular weight of 355.79 g/mol. Its IUPAC name is copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium).

Molecular Properties

Compound Namecopper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)
PubChem CID135964358
Molecular FormulaC10H16CuN2O8+2
Molecular Weight355.79 g/mol
Exact Mass355.02
IUPAC Namecopper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)
SMILESCOC(=O)C(O)=CC([NH3+])=O.COC(=O)C(O)=CC([NH3+])=O.[Cu]
InChIInChI=1S/2C5H7NO4.Cu/c2*1-10-5(9)3(7)2-4(6)8;/h2*2,7H,1H3,(H2,6,8);/p+2
InChIKeyNLRFNXIOYOOAJP-UHFFFAOYSA-P
XLogP-3.26
TPSA182.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 5-3.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-hydroxy-4-[4-[[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134489839
dimethyl oxalate
CID 11120
dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
3-amino-4-methoxy-4-oxobut-2-enoic acid
CID 149437355
dimethyl oxalate;hydrochloride
CID 172754902
acetic acid;methyl 2-methyl-4-oxopent-2-enoate
CID 174282398
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
CID 87704486
CID 87704486
ethane;methyl 2-oxopropanoate
CID 142946473
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
methyl 2-oxopropanoate;hydrate
CID 172759960

Frequently Asked Questions

What is the IUPAC name of copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)?
The IUPAC name of copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium) (CID 135964358) is copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium).
What is the SMILES notation for copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)?
The canonical SMILES for copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium) is COC(=O)C(O)=CC([NH3+])=O.COC(=O)C(O)=CC([NH3+])=O.[Cu].
What is the InChIKey of copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)?
The InChIKey is NLRFNXIOYOOAJP-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H7NO4.Cu/c2*1-10-5(9)3(7)2-4(6)8;/h2*2,7H,1H3,(H2,6,8);/p+2.
What are the key properties of copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium)?
copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium) has a molecular weight of 355.79 g/mol, XLogP of -3.26, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((3-hydroxy-4-methoxy-4-oxobut-2-enoyl)azanium) is sourced from PubChem (CID 135964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).