methyl 3-hydroxy-2-(thiolan-3-yl)propanoate

C8H14O3S — CID 117238513

IUPACmethyl 3-hydroxy-2-(thiolan-3-yl)propanoate
SMILESCOC(=O)C(CO)C1CCSC1
InChIInChI=1S/C8H14O3S/c1-11-8(10)7(4-9)6-2-3-12-5-6/h6-7,9H,2-5H2,1H3
InChIKeyHLKNJXXKBQPFSJ-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.52
Rot. Bonds3

About methyl 3-hydroxy-2-(thiolan-3-yl)propanoate

methyl 3-hydroxy-2-(thiolan-3-yl)propanoate (PubChem CID 117238513) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(thiolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(thiolan-3-yl)propanoate
PubChem CID117238513
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Namemethyl 3-hydroxy-2-(thiolan-3-yl)propanoate
SMILESCOC(=O)C(CO)C1CCSC1
InChIInChI=1S/C8H14O3S/c1-11-8(10)7(4-9)6-2-3-12-5-6/h6-7,9H,2-5H2,1H3
InChIKeyHLKNJXXKBQPFSJ-UHFFFAOYSA-N
XLogP0.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-hydroxy-2-(thiolan-3-yl)propanoate 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

methyl 3-(azepan-1-yl)-2-(thiolan-3-yl)propanoate
CID 117238166
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
methyl 3-(methylamino)-2-(thian-4-yl)propanoate
CID 117239539
methyl 3-methylsulfonyl-2-(thian-4-yl)propanoate
CID 117239646
methyl 3-(thiolan-3-yl)butanoate
CID 176838272
3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022
methyl 4-hydroxy-3-methyl-4-(thiolan-3-yl)butanoate
CID 107133426
3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
CID 117238110
methyl 2-cyclopropyl-3-(methylamino)propanoate
CID 117245476
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
CID 107132959
methyl 3-hydroxy-2,2-dimethyl-3-(thiolan-3-yl)propanoate
CID 176838276

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(thiolan-3-yl)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(thiolan-3-yl)propanoate (CID 117238513) is methyl 3-hydroxy-2-(thiolan-3-yl)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(thiolan-3-yl)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(thiolan-3-yl)propanoate is COC(=O)C(CO)C1CCSC1.
What is the InChIKey of methyl 3-hydroxy-2-(thiolan-3-yl)propanoate?
The InChIKey is HLKNJXXKBQPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-11-8(10)7(4-9)6-2-3-12-5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of methyl 3-hydroxy-2-(thiolan-3-yl)propanoate?
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate has a molecular weight of 190.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(thiolan-3-yl)propanoate is sourced from PubChem (CID 117238513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).