2-(2-hydroxypropyl)thiolane-2-carboxylic acid

C8H14O3S — CID 83173679

IUPAC2-(2-hydroxypropyl)thiolane-2-carboxylic acid
SMILESCC(O)CC1(C(=O)O)CCCS1
InChIInChI=1S/C8H14O3S/c1-6(9)5-8(7(10)11)3-2-4-12-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyOOPZGRSXCVSADB-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-hydroxypropyl)thiolane-2-carboxylic acid

2-(2-hydroxypropyl)thiolane-2-carboxylic acid (PubChem CID 83173679) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)thiolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxypropyl)thiolane-2-carboxylic acid
PubChem CID83173679
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(2-hydroxypropyl)thiolane-2-carboxylic acid
SMILESCC(O)CC1(C(=O)O)CCCS1
InChIInChI=1S/C8H14O3S/c1-6(9)5-8(7(10)11)3-2-4-12-8/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyOOPZGRSXCVSADB-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)thiolane-2-carboxylic acid?
The IUPAC name of 2-(2-hydroxypropyl)thiolane-2-carboxylic acid (CID 83173679) is 2-(2-hydroxypropyl)thiolane-2-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxypropyl)thiolane-2-carboxylic acid?
The canonical SMILES for 2-(2-hydroxypropyl)thiolane-2-carboxylic acid is CC(O)CC1(C(=O)O)CCCS1.
What is the InChIKey of 2-(2-hydroxypropyl)thiolane-2-carboxylic acid?
The InChIKey is OOPZGRSXCVSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-6(9)5-8(7(10)11)3-2-4-12-8/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(2-hydroxypropyl)thiolane-2-carboxylic acid?
2-(2-hydroxypropyl)thiolane-2-carboxylic acid has a molecular weight of 190.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)thiolane-2-carboxylic acid is sourced from PubChem (CID 83173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).