2-hydroxy-3-thiophen-2-ylpropanoic acid

C7H8O3S — CID 57167888

IUPAC2-hydroxy-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(O)Cc1cccs1
InChIInChI=1S/C7H8O3S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6,8H,4H2,(H,9,10)
InChIKeyFZHYPTLICUTGMO-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.74
Rot. Bonds3

About 2-hydroxy-3-thiophen-2-ylpropanoic acid

2-hydroxy-3-thiophen-2-ylpropanoic acid (PubChem CID 57167888) has the molecular formula C7H8O3S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-hydroxy-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-thiophen-2-ylpropanoic acid
PubChem CID57167888
Molecular FormulaC7H8O3S
Molecular Weight172.21 g/mol
Exact Mass172.02
IUPAC Name2-hydroxy-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)C(O)Cc1cccs1
InChIInChI=1S/C7H8O3S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6,8H,4H2,(H,9,10)
InChIKeyFZHYPTLICUTGMO-UHFFFAOYSA-N
XLogP0.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 81007832
2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate
CID 139951831
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
(2S)-2-hydroxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 107832922
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
CID 15571614
4,4,4-trifluoro-3-(thiophen-2-ylmethyl)butanoic acid
CID 82534868

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 2-hydroxy-3-thiophen-2-ylpropanoic acid (CID 57167888) is 2-hydroxy-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-thiophen-2-ylpropanoic acid is O=C(O)C(O)Cc1cccs1.
What is the InChIKey of 2-hydroxy-3-thiophen-2-ylpropanoic acid?
The InChIKey is FZHYPTLICUTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6,8H,4H2,(H,9,10).
What are the key properties of 2-hydroxy-3-thiophen-2-ylpropanoic acid?
2-hydroxy-3-thiophen-2-ylpropanoic acid has a molecular weight of 172.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 57167888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).