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

C9H12N2O5S — CID 43171669

IUPAC3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H12N2O5S/c1-5-4-17-9(16)11(5)2-7(13)10-6(3-12)8(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyQBROWPSXOWQMPS-UHFFFAOYSA-N
MW260.27 g/mol
LogP-1.22
Rot. Bonds5

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

3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 43171669) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID43171669
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CO)C(=O)O
InChIInChI=1S/C9H12N2O5S/c1-5-4-17-9(16)11(5)2-7(13)10-6(3-12)8(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15)
InChIKeyQBROWPSXOWQMPS-UHFFFAOYSA-N
XLogP-1.22
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43353737
3-Hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43353743
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43354501
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
3-Hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43357573
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43357807
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43393613
Methyl 3-hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
CID 43407185
Methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 43408761
N-(1-hydroxybutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418007
N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418780
2-[[2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465407

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 43171669) is 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is Cc1csc(=O)n1CC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is QBROWPSXOWQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-5-4-17-9(16)11(5)2-7(13)10-6(3-12)8(14)15/h4,6,12H,2-3H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 260.27 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43171669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).