2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid

C8H10O3S — CID 21313688

IUPAC2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1CC(O)C(=O)O
InChIInChI=1S/C8H10O3S/c1-5-2-3-12-7(5)4-6(9)8(10)11/h2-3,6,9H,4H2,1H3,(H,10,11)
InChIKeyODIUPOXSPHWKLR-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.04
Rot. Bonds3

About 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid

2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid (PubChem CID 21313688) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid
PubChem CID21313688
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid
SMILESCc1ccsc1CC(O)C(=O)O
InChIInChI=1S/C8H10O3S/c1-5-2-3-12-7(5)4-6(9)8(10)11/h2-3,6,9H,4H2,1H3,(H,10,11)
InChIKeyODIUPOXSPHWKLR-UHFFFAOYSA-N
XLogP1.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid (CID 21313688) is 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid is Cc1ccsc1CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid?
The InChIKey is ODIUPOXSPHWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-5-2-3-12-7(5)4-6(9)8(10)11/h2-3,6,9H,4H2,1H3,(H,10,11).
What are the key properties of 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid?
2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid has a molecular weight of 186.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 21313688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).