(2R,3S)-3-hydroxythiolane-2-carboxylic acid

C5H8O3S — CID 93488633

IUPAC(2R,3S)-3-hydroxythiolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1SCC[C@@H]1O
InChIInChI=1S/C5H8O3S/c6-3-1-2-9-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m0/s1
InChIKeyYUHSYXLUVPOHDI-IUYQGCFVSA-N
MW148.18 g/mol
LogP-0.06
Rot. Bonds1

About (2R,3S)-3-hydroxythiolane-2-carboxylic acid

(2R,3S)-3-hydroxythiolane-2-carboxylic acid (PubChem CID 93488633) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is (2R,3S)-3-hydroxythiolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxythiolane-2-carboxylic acid
PubChem CID93488633
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name(2R,3S)-3-hydroxythiolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1SCC[C@@H]1O
InChIInChI=1S/C5H8O3S/c6-3-1-2-9-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m0/s1
InChIKeyYUHSYXLUVPOHDI-IUYQGCFVSA-N
XLogP-0.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-hydroxythiolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyloxythiolane-2-carboxylic acid
CID 18952938
3-aminothiane-2-carboxylic acid
CID 19591724
(3R,4R)-dithiane-3,4-diol
CID 93495775
3-hexoxythiolane-2-carboxylic acid
CID 18953096
carbonic acid;cyclobutane-1,2-diol
CID 122598363
3-(2-methylpentanoyloxy)thiolane-2-carboxylic acid
CID 18952920
(4R)-1,3-thiazinane-2,4-dicarboxylic acid;hydrochloride
CID 121230879
(2S,3S)-2-cyclopentylthiolan-3-ol
CID 10352157
2-propan-2-ylthiolan-3-ol
CID 18410256
6-methyl-3-sulfanylthiane-2-carboxylic acid
CID 139880191
7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
CID 71016765
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxythiolane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-hydroxythiolane-2-carboxylic acid (CID 93488633) is (2R,3S)-3-hydroxythiolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-hydroxythiolane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-hydroxythiolane-2-carboxylic acid is O=C(O)[C@@H]1SCC[C@@H]1O.
What is the InChIKey of (2R,3S)-3-hydroxythiolane-2-carboxylic acid?
The InChIKey is YUHSYXLUVPOHDI-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H8O3S/c6-3-1-2-9-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxythiolane-2-carboxylic acid?
(2R,3S)-3-hydroxythiolane-2-carboxylic acid has a molecular weight of 148.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxythiolane-2-carboxylic acid is sourced from PubChem (CID 93488633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).