disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)

C10H20N2Na2O4S2 — CID 142741182

IUPACdisodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C5H11NO2S.2Na/c2*1-9-3-2-4(6)5(7)8;;/h2*4H,2-3,6H2,1H3,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1
InChIKeyGSVKMOPQMWIGHP-UCQVOLLVSA-L
MW342.39 g/mol
LogP-8.36
Rot. Bonds8

About disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)

disodium bis((2S)-2-amino-4-methylsulfanylbutanoate) (PubChem CID 142741182) has the molecular formula C10H20N2Na2O4S2 and a molecular weight of 342.39 g/mol. Its IUPAC name is disodium bis((2S)-2-amino-4-methylsulfanylbutanoate).

Molecular Properties

Compound Namedisodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
PubChem CID142741182
Molecular FormulaC10H20N2Na2O4S2
Molecular Weight342.39 g/mol
Exact Mass342.07
IUPAC Namedisodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
SMILESCSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/2C5H11NO2S.2Na/c2*1-9-3-2-4(6)5(7)8;;/h2*4H,2-3,6H2,1H3,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1
InChIKeyGSVKMOPQMWIGHP-UCQVOLLVSA-L
XLogP-8.36
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-8.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183
CID 172908207
CID 172908207
2-amino-4-methylsulfanylbutanoate;hydron
CID 135373086
(2S)-2-amino-4-methylsulfanylbutanoate;cobalt(2+);propane-1,2-diol;chloride;hydrochloride
CID 138397165
dizinc;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate;(2S)-2-amino-4-methylsulfanylbutanoate;(2R)-2-amino-3-sulfanylpropanoate
CID 173395298
2-amino-4-methylsulfanylbutanoate;tetrahexylazanium
CID 23277407
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
CID 175209594

Frequently Asked Questions

What is the IUPAC name of disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)?
The IUPAC name of disodium bis((2S)-2-amino-4-methylsulfanylbutanoate) (CID 142741182) is disodium bis((2S)-2-amino-4-methylsulfanylbutanoate).
What is the SMILES notation for disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)?
The canonical SMILES for disodium bis((2S)-2-amino-4-methylsulfanylbutanoate) is CSCC[C@H](N)C(=O)[O-].CSCC[C@H](N)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)?
The InChIKey is GSVKMOPQMWIGHP-UCQVOLLVSA-L. The full InChI is InChI=1S/2C5H11NO2S.2Na/c2*1-9-3-2-4(6)5(7)8;;/h2*4H,2-3,6H2,1H3,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1.
What are the key properties of disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)?
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate) has a molecular weight of 342.39 g/mol, XLogP of -8.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis((2S)-2-amino-4-methylsulfanylbutanoate) is sourced from PubChem (CID 142741182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).