bis(2-acetamidoacetic acid);copper;trihydrate

C8H20CuN2O9 — CID 57404078

IUPACbis(2-acetamidoacetic acid);copper;trihydrate
SMILESCC(=O)NCC(=O)O.CC(=O)NCC(=O)O.O.O.O.[Cu]
InChIInChI=1S/2C4H7NO3.Cu.3H2O/c2*1-3(6)5-2-4(7)8;;;;/h2*2H2,1H3,(H,5,6)(H,7,8);;3*1H2
InChIKeyKJQWEKZZCIGGLJ-UHFFFAOYSA-N
MW351.80 g/mol
LogP-4.06
Rot. Bonds4

About bis(2-acetamidoacetic acid);copper;trihydrate

bis(2-acetamidoacetic acid);copper;trihydrate (PubChem CID 57404078) has the molecular formula C8H20CuN2O9 and a molecular weight of 351.80 g/mol. Its IUPAC name is bis(2-acetamidoacetic acid);copper;trihydrate.

Molecular Properties

Compound Namebis(2-acetamidoacetic acid);copper;trihydrate
PubChem CID57404078
Molecular FormulaC8H20CuN2O9
Molecular Weight351.80 g/mol
Exact Mass351.05
IUPAC Namebis(2-acetamidoacetic acid);copper;trihydrate
SMILESCC(=O)NCC(=O)O.CC(=O)NCC(=O)O.O.O.O.[Cu]
InChIInChI=1S/2C4H7NO3.Cu.3H2O/c2*1-3(6)5-2-4(7)8;;;;/h2*2H2,1H3,(H,5,6)(H,7,8);;3*1H2
InChIKeyKJQWEKZZCIGGLJ-UHFFFAOYSA-N
XLogP-4.06
TPSA227.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 5-4.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174885803
2-acetamidoacetic acid;1,2,3-trimethylbenzene
CID 67885063
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-(2,2-diacetamidopropanoylamino)acetic acid
CID 82254402
2-acetamidoacetate;chromium(3+)
CID 161474806
2-[[(E)-pent-2-en-2-yl]amino]acetic acid
CID 155297764
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
N-(2-oxo-3-sulfanylpropyl)acetamide
CID 57187286
2-(carbamoylamino)acetic acid
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2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994

Frequently Asked Questions

What is the IUPAC name of bis(2-acetamidoacetic acid);copper;trihydrate?
The IUPAC name of bis(2-acetamidoacetic acid);copper;trihydrate (CID 57404078) is bis(2-acetamidoacetic acid);copper;trihydrate.
What is the SMILES notation for bis(2-acetamidoacetic acid);copper;trihydrate?
The canonical SMILES for bis(2-acetamidoacetic acid);copper;trihydrate is CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.O.O.O.[Cu].
What is the InChIKey of bis(2-acetamidoacetic acid);copper;trihydrate?
The InChIKey is KJQWEKZZCIGGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO3.Cu.3H2O/c2*1-3(6)5-2-4(7)8;;;;/h2*2H2,1H3,(H,5,6)(H,7,8);;3*1H2.
What are the key properties of bis(2-acetamidoacetic acid);copper;trihydrate?
bis(2-acetamidoacetic acid);copper;trihydrate has a molecular weight of 351.80 g/mol, XLogP of -4.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetamidoacetic acid);copper;trihydrate is sourced from PubChem (CID 57404078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).