copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)

C14H24CuN2O6S2 — CID 87120525

IUPACcopper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)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
MW444.03 g/mol
LogP-2.01
Rot. Bonds10

About copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)

copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate) (PubChem CID 87120525) has the molecular formula C14H24CuN2O6S2 and a molecular weight of 444.03 g/mol. Its IUPAC name is copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate).

Molecular Properties

Compound Namecopper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
PubChem CID87120525
Molecular FormulaC14H24CuN2O6S2
Molecular Weight444.03 g/mol
Exact Mass443.04
IUPAC Namecopper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)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-2.01
TPSA138.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.03
LogP ≤ 5-2.01
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 bis((2S)-2-acetamido-4-methylsulfanylbutanoate)?
The IUPAC name of copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate) (CID 87120525) is copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate).
What is the SMILES notation for copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)?
The canonical SMILES for copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate) is CSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate)?
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 bis((2S)-2-acetamido-4-methylsulfanylbutanoate)?
copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate) has a molecular weight of 444.03 g/mol, XLogP of -2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((2S)-2-acetamido-4-methylsulfanylbutanoate) is sourced from PubChem (CID 87120525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).