magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)

C10H20MgN2O6S2 — CID 141025880

IUPACmagnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](NO)C(=O)[O-].CSCC[C@H](NO)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H11NO3S.Mg/c2*1-10-3-2-4(6-9)5(7)8;/h2*4,6,9H,2-3H2,1H3,(H,7,8);/q;;+2/p-2/t2*4-;/m00./s1
InChIKeyYNCVCPDRMQPQAB-SCGRZTRASA-L
MW352.72 g/mol
LogP-2.71
Rot. Bonds10

About magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)

magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate) (PubChem CID 141025880) has the molecular formula C10H20MgN2O6S2 and a molecular weight of 352.72 g/mol. Its IUPAC name is magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate).

Molecular Properties

Compound Namemagnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
PubChem CID141025880
Molecular FormulaC10H20MgN2O6S2
Molecular Weight352.72 g/mol
Exact Mass352.06
IUPAC Namemagnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](NO)C(=O)[O-].CSCC[C@H](NO)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H11NO3S.Mg/c2*1-10-3-2-4(6-9)5(7)8;/h2*4,6,9H,2-3H2,1H3,(H,7,8);/q;;+2/p-2/t2*4-;/m00./s1
InChIKeyYNCVCPDRMQPQAB-SCGRZTRASA-L
XLogP-2.71
TPSA144.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 5-2.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
CID 24847734
tetrakis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 154734792
bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 71587405
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
tricalcium;2-(hydroxyamino)-4-methylsulfanylbutanoic acid;diphosphate
CID 175160326
[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
CID 141025878
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-azaniumyl-5-[[(1S)-1-carboxylato-3-methylsulfanylpropyl]amino]-5-oxopentanoate
CID 7009566
sodium (2S)-2-(hexanoylamino)-4-methylsulfanylbutanoate
CID 141400638
2-azaniumyl-4-methylsulfanylbutanoate
CID 5255805
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183

Frequently Asked Questions

What is the IUPAC name of magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)?
The IUPAC name of magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate) (CID 141025880) is magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate).
What is the SMILES notation for magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)?
The canonical SMILES for magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate) is CSCC[C@H](NO)C(=O)[O-].CSCC[C@H](NO)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)?
The InChIKey is YNCVCPDRMQPQAB-SCGRZTRASA-L. The full InChI is InChI=1S/2C5H11NO3S.Mg/c2*1-10-3-2-4(6-9)5(7)8;/h2*4,6,9H,2-3H2,1H3,(H,7,8);/q;;+2/p-2/t2*4-;/m00./s1.
What are the key properties of magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)?
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate) has a molecular weight of 352.72 g/mol, XLogP of -2.71, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate) is sourced from PubChem (CID 141025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).