2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid

C7H9NO3S — CID 130656082

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)sn1
InChIInChI=1S/C7H9NO3S/c1-4(7(9)10)5-3-6(11-2)8-12-5/h3-4H,1-2H3,(H,9,10)
InChIKeyNGLGLBFXWPLBFJ-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.34
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid

2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid (PubChem CID 130656082) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
PubChem CID130656082
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)sn1
InChIInChI=1S/C7H9NO3S/c1-4(7(9)10)5-3-6(11-2)8-12-5/h3-4H,1-2H3,(H,9,10)
InChIKeyNGLGLBFXWPLBFJ-UHFFFAOYSA-N
XLogP1.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid (CID 130656082) is 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid is COc1cc(C(C)C(=O)O)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The InChIKey is NGLGLBFXWPLBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4(7(9)10)5-3-6(11-2)8-12-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 130656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).