2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

C11H16N2O4S2 — CID 43353481

IUPAC2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4S2/c1-7-6-19-11(17)13(7)5-9(14)12-8(10(15)16)3-4-18-2/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXUITVSSEJOEHPD-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.54
Rot. Bonds7

About 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid

2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid (PubChem CID 43353481) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
PubChem CID43353481
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C11H16N2O4S2/c1-7-6-19-11(17)13(7)5-9(14)12-8(10(15)16)3-4-18-2/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXUITVSSEJOEHPD-UHFFFAOYSA-N
XLogP0.54
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Trimethionine
CID 3082062
H-D-Met-Met-Met-OH
CID 40496728
Met-Ala-Met
CID 129656953
H-Met-Gly-Met-OH
CID 40496734
Gly-Met-Met
CID 13037668
Ala-Cys-Met
CID 145453555
Ala-Met-Met
CID 145453641
Cys-Ala-Met
CID 145454631
Cys-Cys-Met
CID 145454696
Cys-Gly-Met
CID 145454747
Gly-Cys-Met
CID 145455601
l-Methionyl-d-methionyl-l-methionine
CID 129691846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid (CID 43353481) is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid is CSCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
The InChIKey is XUITVSSEJOEHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7-6-19-11(17)13(7)5-9(14)12-8(10(15)16)3-4-18-2/h6,8H,3-5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid?
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid has a molecular weight of 304.39 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43353481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).