Copper acetylmethionate

C14H24CuN2O6S2 — CID 87120525

IUPACcopper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
SMILESCC(=O)N[C@@H](CCSC)C(=O)[O-].CC(=O)N[C@@H](CCSC)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C7H13NO3S.Cu/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/p-2/t2*6-;/m00./s1
InChIKeyOBNKJIPLLQKPCM-UAIGZDOSSA-L
MW444.00 g/mol
LogP—
Rot. Bonds8

About Copper acetylmethionate

Copper acetylmethionate (PubChem CID 87120525) has the molecular formula C14H24CuN2O6S2 and a molecular weight of 444.00 g/mol. Its IUPAC name is copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate).

Molecular Properties

Compound NameCopper acetylmethionate
PubChem CID87120525
Molecular FormulaC14H24CuN2O6S2
Molecular Weight444.00 g/mol
Exact Mass443.04
IUPAC Namecopper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
SMILESCC(=O)N[C@@H](CCSC)C(=O)[O-].CC(=O)N[C@@H](CCSC)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C7H13NO3S.Cu/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/p-2/t2*6-;/m00./s1
InChIKeyOBNKJIPLLQKPCM-UAIGZDOSSA-L
XLogP—
TPSA189.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-acetyl-L-methionine
CID 448580
Methionylmethionine
CID 104294
N-Acetyl-DL-methionine
CID 6180
N-acetyl-D-methionine
CID 6991987
S-(L-2-(Acetylamino)-2-carboxyethyl)-L-homocysteine
CID 152314
H-Met-met-OH
CID 6993082
Zinc acetylmethionate
CID 24847734
methyl (2S)-2-acetamido-4-(methylsulfanyl)butanoate
CID 7010507
Cobalt acetylmethionate
CID 56641298
Magnesium acetylmethionate
CID 71587404
Manganese acetylmethionate
CID 71587405
DL-Alanyl-DL-methionine
CID 98509

Frequently Asked Questions

What is the IUPAC name of Copper acetylmethionate?
The IUPAC name of Copper acetylmethionate (CID 87120525) is copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate).
What is the SMILES notation for Copper acetylmethionate?
The canonical SMILES for Copper acetylmethionate is CC(=O)N[C@@H](CCSC)C(=O)[O-].CC(=O)N[C@@H](CCSC)C(=O)[O-].[Cu+2].
What is the InChIKey of Copper acetylmethionate?
The InChIKey is OBNKJIPLLQKPCM-UAIGZDOSSA-L. The full InChI is InChI=1S/2C7H13NO3S.Cu/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/p-2/t2*6-;/m00./s1.
What are the key properties of Copper acetylmethionate?
Copper acetylmethionate has a molecular weight of 444.00 g/mol, XLogP of not available, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Copper acetylmethionate is sourced from PubChem (CID 87120525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).