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

C10H14N2O4S — CID 43360933

IUPAC3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(3-9(14)15)11-8(13)4-12-7(2)5-17-10(12)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyOTRNPCAJQIUICC-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.20
Rot. Bonds5

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

3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 43360933) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID43360933
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H14N2O4S/c1-6(3-9(14)15)11-8(13)4-12-7(2)5-17-10(12)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyOTRNPCAJQIUICC-UHFFFAOYSA-N
XLogP0.20
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (CID 43360933) is 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is Cc1csc(=O)n1CC(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is OTRNPCAJQIUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(3-9(14)15)11-8(13)4-12-7(2)5-17-10(12)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43360933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).