copper;bis((2S)-2-hydroxypropanoate);1H-imidazole

C9H14CuN2O6 — CID 139036628

IUPACcopper;bis((2S)-2-hydroxypropanoate);1H-imidazole
SMILESC[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Cu+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C3H6O3.Cu/c1-2-5-3-4-1;2*1-2(4)3(5)6;/h1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);/q;;;+2/p-2/t;2*2-;/m.00./s1
InChIKeyYRDCIAOUUSYVQH-AZIRBPCQSA-L
MW309.77 g/mol
LogP-3.36
Rot. Bonds2

About copper;bis((2S)-2-hydroxypropanoate);1H-imidazole

copper;bis((2S)-2-hydroxypropanoate);1H-imidazole (PubChem CID 139036628) has the molecular formula C9H14CuN2O6 and a molecular weight of 309.77 g/mol. Its IUPAC name is copper;bis((2S)-2-hydroxypropanoate);1H-imidazole.

Molecular Properties

Compound Namecopper;bis((2S)-2-hydroxypropanoate);1H-imidazole
PubChem CID139036628
Molecular FormulaC9H14CuN2O6
Molecular Weight309.77 g/mol
Exact Mass309.01
IUPAC Namecopper;bis((2S)-2-hydroxypropanoate);1H-imidazole
SMILESC[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Cu+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C3H6O3.Cu/c1-2-5-3-4-1;2*1-2(4)3(5)6;/h1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);/q;;;+2/p-2/t;2*2-;/m.00./s1
InChIKeyYRDCIAOUUSYVQH-AZIRBPCQSA-L
XLogP-3.36
TPSA149.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 5-3.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of copper;bis((2S)-2-hydroxypropanoate);1H-imidazole?
The IUPAC name of copper;bis((2S)-2-hydroxypropanoate);1H-imidazole (CID 139036628) is copper;bis((2S)-2-hydroxypropanoate);1H-imidazole.
What is the SMILES notation for copper;bis((2S)-2-hydroxypropanoate);1H-imidazole?
The canonical SMILES for copper;bis((2S)-2-hydroxypropanoate);1H-imidazole is C[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Cu+2].c1c[nH]cn1.
What is the InChIKey of copper;bis((2S)-2-hydroxypropanoate);1H-imidazole?
The InChIKey is YRDCIAOUUSYVQH-AZIRBPCQSA-L. The full InChI is InChI=1S/C3H4N2.2C3H6O3.Cu/c1-2-5-3-4-1;2*1-2(4)3(5)6;/h1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);/q;;;+2/p-2/t;2*2-;/m.00./s1.
What are the key properties of copper;bis((2S)-2-hydroxypropanoate);1H-imidazole?
copper;bis((2S)-2-hydroxypropanoate);1H-imidazole has a molecular weight of 309.77 g/mol, XLogP of -3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((2S)-2-hydroxypropanoate);1H-imidazole is sourced from PubChem (CID 139036628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).