2-amino-4-methylsulfanylbutanoate;hydron

C5H11NO2S — CID 135373086

IUPAC2-amino-4-methylsulfanylbutanoate;hydron
SMILESCSCCC(N)C(=O)[O-].[H+]
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyFFEARJCKVFRZRR-UHFFFAOYSA-N
MW149.22 g/mol
LogP-1.07
Rot. Bonds4

About 2-amino-4-methylsulfanylbutanoate;hydron

2-amino-4-methylsulfanylbutanoate;hydron (PubChem CID 135373086) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoate;hydron.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoate;hydron
PubChem CID135373086
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-amino-4-methylsulfanylbutanoate;hydron
SMILESCSCCC(N)C(=O)[O-].[H+]
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyFFEARJCKVFRZRR-UHFFFAOYSA-N
XLogP-1.07
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-amino-4-methylsulfanylbutanoate);chromium(3+)
CID 71661183
disodium bis((2S)-2-amino-4-methylsulfanylbutanoate)
CID 142741182
CID 172908207
CID 172908207
(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
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoate;hydron?
The IUPAC name of 2-amino-4-methylsulfanylbutanoate;hydron (CID 135373086) is 2-amino-4-methylsulfanylbutanoate;hydron.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoate;hydron?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoate;hydron is CSCCC(N)C(=O)[O-].[H+].
What is the InChIKey of 2-amino-4-methylsulfanylbutanoate;hydron?
The InChIKey is FFEARJCKVFRZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-4-methylsulfanylbutanoate;hydron?
2-amino-4-methylsulfanylbutanoate;hydron has a molecular weight of 149.22 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoate;hydron is sourced from PubChem (CID 135373086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).