copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)

C12H20CuN2O8 — CID 88693916

IUPACcopper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)
SMILESC[C@@H](O)[C@H](NCC=O)C(=O)[O-].C[C@@H](O)[C@H](NCC=O)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H11NO4.Cu/c2*1-4(9)5(6(10)11)7-2-3-8;/h2*3-5,7,9H,2H2,1H3,(H,10,11);/q;;+2/p-2/t2*4-,5+;/m11./s1
InChIKeyGYODBADJKNTCNL-ASZNEFJQSA-L
MW383.84 g/mol
LogP-5.45
Rot. Bonds10

About copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)

copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate) (PubChem CID 88693916) has the molecular formula C12H20CuN2O8 and a molecular weight of 383.84 g/mol. Its IUPAC name is copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate).

Molecular Properties

Compound Namecopper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)
PubChem CID88693916
Molecular FormulaC12H20CuN2O8
Molecular Weight383.84 g/mol
Exact Mass383.05
IUPAC Namecopper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)
SMILESC[C@@H](O)[C@H](NCC=O)C(=O)[O-].C[C@@H](O)[C@H](NCC=O)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H11NO4.Cu/c2*1-4(9)5(6(10)11)7-2-3-8;/h2*3-5,7,9H,2H2,1H3,(H,10,11);/q;;+2/p-2/t2*4-,5+;/m11./s1
InChIKeyGYODBADJKNTCNL-ASZNEFJQSA-L
XLogP-5.45
TPSA178.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 5-5.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
CID 88693917
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
CID 7023135
(2S)-2-[2-[[(1S)-1-carboxylato-2-methylpropyl]amino]ethylamino]-3-methylbutanoate
CID 100940551
copper bis(2-hydroxypropanoate)
CID 13145
copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 22828914
azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
bis(2-hydroxypropanoate);manganese(2+);hydrate
CID 161275678
calcium;formic acid;bis(2-hydroxypropanoate)
CID 159892709
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
2-hydroxypropanoate;oxoazanium;acetate
CID 140813979
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
2-hydroxypropanoate;iridium(3+);acetate
CID 157323915

Frequently Asked Questions

What is the IUPAC name of copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)?
The IUPAC name of copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate) (CID 88693916) is copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate).
What is the SMILES notation for copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)?
The canonical SMILES for copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate) is C[C@@H](O)[C@H](NCC=O)C(=O)[O-].C[C@@H](O)[C@H](NCC=O)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)?
The InChIKey is GYODBADJKNTCNL-ASZNEFJQSA-L. The full InChI is InChI=1S/2C6H11NO4.Cu/c2*1-4(9)5(6(10)11)7-2-3-8;/h2*3-5,7,9H,2H2,1H3,(H,10,11);/q;;+2/p-2/t2*4-,5+;/m11./s1.
What are the key properties of copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate)?
copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate) has a molecular weight of 383.84 g/mol, XLogP of -5.45, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoate) is sourced from PubChem (CID 88693916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).