bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)

C14H24MnN2O6S2 — CID 71587405

IUPACbis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
SMILESCSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C7H13NO3S.Mn/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
InChIKeyNCOMLKYSJHLANH-UAIGZDOSSA-L
MW435.43 g/mol
LogP-2.01
Rot. Bonds10

About bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)

bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+) (PubChem CID 71587405) has the molecular formula C14H24MnN2O6S2 and a molecular weight of 435.43 g/mol. Its IUPAC name is bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+).

Molecular Properties

Compound Namebis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
PubChem CID71587405
Molecular FormulaC14H24MnN2O6S2
Molecular Weight435.43 g/mol
Exact Mass435.05
IUPAC Namebis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
SMILESCSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C7H13NO3S.Mn/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
InChIKeyNCOMLKYSJHLANH-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 ≤ 500435.43
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tetrakis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 154734792
zinc bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
CID 24847734
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
CID 170843089
CID 170843089
(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate
CID 2282617
(2S)-2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 161310625
(2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-3-methylsulfanylpropyl]amino]-5-oxopentanoate
CID 7009566
(2R)-2-acetamidohexanoate
CID 6995105
disodium;2-acetamidopentanedioate
CID 18539436
sodium (2S)-2-(hexanoylamino)-4-methylsulfanylbutanoate
CID 141400638
(2S)-2-acetamido-4-methylsulfanylbutanoic acid;2-amino-4-methylsulfanylbutanoic acid
CID 87569304

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)?
The IUPAC name of bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+) (CID 71587405) is bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+).
What is the SMILES notation for bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)?
The canonical SMILES for bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+) is CSCC[C@H](NC(C)=O)C(=O)[O-].CSCC[C@H](NC(C)=O)C(=O)[O-].[Mn+2].
What is the InChIKey of bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)?
The InChIKey is NCOMLKYSJHLANH-UAIGZDOSSA-L. The full InChI is InChI=1S/2C7H13NO3S.Mn/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 bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)?
bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+) has a molecular weight of 435.43 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 bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+) is sourced from PubChem (CID 71587405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).