3-methoxythiolane-2-carboxylic acid

C6H10O3S — CID 18952947

IUPAC3-methoxythiolane-2-carboxylic acid
SMILESCOC1CCSC1C(=O)O
InChIInChI=1S/C6H10O3S/c1-9-4-2-3-10-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyONLFRTYJYDWZEQ-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.59
Rot. Bonds2

About 3-methoxythiolane-2-carboxylic acid

3-methoxythiolane-2-carboxylic acid (PubChem CID 18952947) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-methoxythiolane-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxythiolane-2-carboxylic acid
PubChem CID18952947
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name3-methoxythiolane-2-carboxylic acid
SMILESCOC1CCSC1C(=O)O
InChIInChI=1S/C6H10O3S/c1-9-4-2-3-10-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyONLFRTYJYDWZEQ-UHFFFAOYSA-N
XLogP0.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxythiolane-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxythiolane-2-carboxylic acid?
The IUPAC name of 3-methoxythiolane-2-carboxylic acid (CID 18952947) is 3-methoxythiolane-2-carboxylic acid.
What is the SMILES notation for 3-methoxythiolane-2-carboxylic acid?
The canonical SMILES for 3-methoxythiolane-2-carboxylic acid is COC1CCSC1C(=O)O.
What is the InChIKey of 3-methoxythiolane-2-carboxylic acid?
The InChIKey is ONLFRTYJYDWZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-9-4-2-3-10-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-methoxythiolane-2-carboxylic acid?
3-methoxythiolane-2-carboxylic acid has a molecular weight of 162.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiolane-2-carboxylic acid is sourced from PubChem (CID 18952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).