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

C10H14N2O4S — CID 43469441

IUPAC2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-3-7(9(14)15)11-8(13)4-12-6(2)5-17-10(12)16/h5,7H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyOPYCLEDVHDTFEP-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.20
Rot. Bonds5

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

2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 43469441) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID43469441
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-3-7(9(14)15)11-8(13)4-12-6(2)5-17-10(12)16/h5,7H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyOPYCLEDVHDTFEP-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 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid (CID 43469441) is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is CCC(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]butanoic acid?
The InChIKey is OPYCLEDVHDTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-7(9(14)15)11-8(13)4-12-6(2)5-17-10(12)16/h5,7H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid?
2-[[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 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43469441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).