copper;aminomethanol;carbonate

C2H5CuNO4 — CID 23118320

IUPACcopper;aminomethanol;carbonate
SMILESNCO.O=C([O-])[O-].[Cu+2]
InChIInChI=1S/CH5NO.CH2O3.Cu/c2-1-3;2-1(3)4;/h3H,1-2H2;(H2,2,3,4);/q;;+2/p-2
InChIKeyLQEYGVNEDWVHHL-UHFFFAOYSA-L
MW170.61 g/mol
LogP-3.55
Rot. Bonds

About copper;aminomethanol;carbonate

copper;aminomethanol;carbonate (PubChem CID 23118320) has the molecular formula C2H5CuNO4 and a molecular weight of 170.61 g/mol. Its IUPAC name is copper;aminomethanol;carbonate.

Molecular Properties

Compound Namecopper;aminomethanol;carbonate
PubChem CID23118320
Molecular FormulaC2H5CuNO4
Molecular Weight170.61 g/mol
Exact Mass169.95
IUPAC Namecopper;aminomethanol;carbonate
SMILESNCO.O=C([O-])[O-].[Cu+2]
InChIInChI=1S/CH5NO.CH2O3.Cu/c2-1-3;2-1(3)4;/h3H,1-2H2;(H2,2,3,4);/q;;+2/p-2
InChIKeyLQEYGVNEDWVHHL-UHFFFAOYSA-L
XLogP-3.55
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.61
LogP ≤ 5-3.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 173183203
CID 173183203

Frequently Asked Questions

What is the IUPAC name of copper;aminomethanol;carbonate?
The IUPAC name of copper;aminomethanol;carbonate (CID 23118320) is copper;aminomethanol;carbonate.
What is the SMILES notation for copper;aminomethanol;carbonate?
The canonical SMILES for copper;aminomethanol;carbonate is NCO.O=C([O-])[O-].[Cu+2].
What is the InChIKey of copper;aminomethanol;carbonate?
The InChIKey is LQEYGVNEDWVHHL-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5NO.CH2O3.Cu/c2-1-3;2-1(3)4;/h3H,1-2H2;(H2,2,3,4);/q;;+2/p-2.
What are the key properties of copper;aminomethanol;carbonate?
copper;aminomethanol;carbonate has a molecular weight of 170.61 g/mol, XLogP of -3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;aminomethanol;carbonate is sourced from PubChem (CID 23118320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).