potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride

C5H13KNNaO2S — CID 175209594

IUPACpotassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
SMILESCSCCC(N)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H11NO2S.K.Na.2H/c1-9-3-2-4(6)5(7)8;;;;/h4H,2-3,6H2,1H3,(H,7,8);;;;/q;2*+1;2*-1
InChIKeyLDIWNWSFCXHOCC-UHFFFAOYSA-N
MW213.32 g/mol
LogP-5.62
Rot. Bonds4

About potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride

potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride (PubChem CID 175209594) has the molecular formula C5H13KNNaO2S and a molecular weight of 213.32 g/mol. Its IUPAC name is potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
PubChem CID175209594
Molecular FormulaC5H13KNNaO2S
Molecular Weight213.32 g/mol
Exact Mass213.02
IUPAC Namepotassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
SMILESCSCCC(N)C(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C5H11NO2S.K.Na.2H/c1-9-3-2-4(6)5(7)8;;;;/h4H,2-3,6H2,1H3,(H,7,8);;;;/q;2*+1;2*-1
InChIKeyLDIWNWSFCXHOCC-UHFFFAOYSA-N
XLogP-5.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-5.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride?
The IUPAC name of potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride (CID 175209594) is potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride.
What is the SMILES notation for potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride?
The canonical SMILES for potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride is CSCCC(N)C(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride?
The InChIKey is LDIWNWSFCXHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.K.Na.2H/c1-9-3-2-4(6)5(7)8;;;;/h4H,2-3,6H2,1H3,(H,7,8);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride?
potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride has a molecular weight of 213.32 g/mol, XLogP of -5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride is sourced from PubChem (CID 175209594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).