copper;bis(2-aminoacetate);hydrate

C4H10CuN2O5 — CID 139067245

IUPACcopper;bis(2-aminoacetate);hydrate
SMILESNCC(=O)[O-].NCC(=O)[O-].O.[Cu+2]
InChIInChI=1S/2C2H5NO2.Cu.H2O/c2*3-1-2(4)5;;/h2*1,3H2,(H,4,5);;1H2/q;;+2;/p-2
InChIKeyIBCBKVAHJPKRLA-UHFFFAOYSA-L
MW229.68 g/mol
LogP-5.44
Rot. Bonds2

About copper;bis(2-aminoacetate);hydrate

copper;bis(2-aminoacetate);hydrate (PubChem CID 139067245) has the molecular formula C4H10CuN2O5 and a molecular weight of 229.68 g/mol. Its IUPAC name is copper;bis(2-aminoacetate);hydrate.

Molecular Properties

Compound Namecopper;bis(2-aminoacetate);hydrate
PubChem CID139067245
Molecular FormulaC4H10CuN2O5
Molecular Weight229.68 g/mol
Exact Mass228.99
IUPAC Namecopper;bis(2-aminoacetate);hydrate
SMILESNCC(=O)[O-].NCC(=O)[O-].O.[Cu+2]
InChIInChI=1S/2C2H5NO2.Cu.H2O/c2*3-1-2(4)5;;/h2*1,3H2,(H,4,5);;1H2/q;;+2;/p-2
InChIKeyIBCBKVAHJPKRLA-UHFFFAOYSA-L
XLogP-5.44
TPSA163.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 5-5.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
CID 173183203
CID 173183203
2-aminoacetate;iron(3+);diacetate
CID 174987571
trisodium;2-aminoacetate;diacetate
CID 20975811
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-aminoacetate);hydrate?
The IUPAC name of copper;bis(2-aminoacetate);hydrate (CID 139067245) is copper;bis(2-aminoacetate);hydrate.
What is the SMILES notation for copper;bis(2-aminoacetate);hydrate?
The canonical SMILES for copper;bis(2-aminoacetate);hydrate is NCC(=O)[O-].NCC(=O)[O-].O.[Cu+2].
What is the InChIKey of copper;bis(2-aminoacetate);hydrate?
The InChIKey is IBCBKVAHJPKRLA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5NO2.Cu.H2O/c2*3-1-2(4)5;;/h2*1,3H2,(H,4,5);;1H2/q;;+2;/p-2.
What are the key properties of copper;bis(2-aminoacetate);hydrate?
copper;bis(2-aminoacetate);hydrate has a molecular weight of 229.68 g/mol, XLogP of -5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-aminoacetate);hydrate is sourced from PubChem (CID 139067245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).