acetic acid;copper;ethane-1,2-diamine

C10H20CuN2O8-4 — CID 155386634

IUPACacetic acid;copper;ethane-1,2-diamine
SMILESNCCN.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[Cu]
InChIInChI=1S/C2H8N2.4C2H3O2.Cu/c3-1-2-4;4*1-2(3)4;/h1-4H2;4*1H2,(H,3,4);/q;4*-1;
InChIKeyUVGJTEINIZGNRP-UHFFFAOYSA-N
MW359.82 g/mol
LogP-1.48
Rot. Bonds1

About acetic acid;copper;ethane-1,2-diamine

acetic acid;copper;ethane-1,2-diamine (PubChem CID 155386634) has the molecular formula C10H20CuN2O8-4 and a molecular weight of 359.82 g/mol. Its IUPAC name is acetic acid;copper;ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;copper;ethane-1,2-diamine
PubChem CID155386634
Molecular FormulaC10H20CuN2O8-4
Molecular Weight359.82 g/mol
Exact Mass359.05
IUPAC Nameacetic acid;copper;ethane-1,2-diamine
SMILESNCCN.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[Cu]
InChIInChI=1S/C2H8N2.4C2H3O2.Cu/c3-1-2-4;4*1-2(3)4;/h1-4H2;4*1H2,(H,3,4);/q;4*-1;
InChIKeyUVGJTEINIZGNRP-UHFFFAOYSA-N
XLogP-1.48
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 5-1.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
acetic acid;copper;ethane-1,2-diamine
CID 88782929
cobalt;bis(ethane-1,2-diamine);oxalic acid
CID 50897291
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
CID 160895097
CID 160895097
acetic acid;technetium
CID 174659428
acetic acid;platinum
CID 154096540
acetic acid;azane;cerium;propane-1,3-diamine
CID 88686634

Frequently Asked Questions

What is the IUPAC name of acetic acid;copper;ethane-1,2-diamine?
The IUPAC name of acetic acid;copper;ethane-1,2-diamine (CID 155386634) is acetic acid;copper;ethane-1,2-diamine.
What is the SMILES notation for acetic acid;copper;ethane-1,2-diamine?
The canonical SMILES for acetic acid;copper;ethane-1,2-diamine is NCCN.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[Cu].
What is the InChIKey of acetic acid;copper;ethane-1,2-diamine?
The InChIKey is UVGJTEINIZGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H3O2.Cu/c3-1-2-4;4*1-2(3)4;/h1-4H2;4*1H2,(H,3,4);/q;4*-1;.
What are the key properties of acetic acid;copper;ethane-1,2-diamine?
acetic acid;copper;ethane-1,2-diamine has a molecular weight of 359.82 g/mol, XLogP of -1.48, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;copper;ethane-1,2-diamine is sourced from PubChem (CID 155386634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).