2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid

C7H9NO3S — CID 83828970

IUPAC2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCOC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C7H9NO3S/c1-7(11-2,6(9)10)5-3-12-4-8-5/h3-4H,1-2H3,(H,9,10)
InChIKeyLUOTXNRZKVLDHT-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.09
Rot. Bonds3

About 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid

2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid (PubChem CID 83828970) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid
PubChem CID83828970
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid
SMILESCOC(C)(C(=O)O)c1cscn1
InChIInChI=1S/C7H9NO3S/c1-7(11-2,6(9)10)5-3-12-4-8-5/h3-4H,1-2H3,(H,9,10)
InChIKeyLUOTXNRZKVLDHT-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid (CID 83828970) is 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid is COC(C)(C(=O)O)c1cscn1.
What is the InChIKey of 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid?
The InChIKey is LUOTXNRZKVLDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-7(11-2,6(9)10)5-3-12-4-8-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid?
2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid has a molecular weight of 187.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 83828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).