2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid

C9H12N2O4S — CID 64580902

IUPAC2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCC(=O)NC(Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(8(13)14)10-6(2)12/h4,7H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyDYKSEGPIUYXWLP-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.19
Rot. Bonds4

About 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid

2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (PubChem CID 64580902) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
PubChem CID64580902
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
SMILESCC(=O)NC(Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(8(13)14)10-6(2)12/h4,7H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyDYKSEGPIUYXWLP-UHFFFAOYSA-N
XLogP-0.19
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid (CID 64580902) is 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is CC(=O)NC(Cn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
The InChIKey is DYKSEGPIUYXWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-5-4-16-9(15)11(5)3-7(8(13)14)10-6(2)12/h4,7H,3H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid?
2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid has a molecular weight of 244.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid is sourced from PubChem (CID 64580902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).