2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid

C9H15NO2S — CID 65069381

IUPAC2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCSC2)C1
InChIInChI=1S/C9H15NO2S/c11-9(12)3-7-4-10(5-7)8-1-2-13-6-8/h7-8H,1-6H2,(H,11,12)
InChIKeyHUGPHICQTPXWFW-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.90
Rot. Bonds3

About 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid

2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid (PubChem CID 65069381) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid
PubChem CID65069381
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCSC2)C1
InChIInChI=1S/C9H15NO2S/c11-9(12)3-7-4-10(5-7)8-1-2-13-6-8/h7-8H,1-6H2,(H,11,12)
InChIKeyHUGPHICQTPXWFW-UHFFFAOYSA-N
XLogP0.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic 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 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid (CID 65069381) is 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C2CCSC2)C1.
What is the InChIKey of 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid?
The InChIKey is HUGPHICQTPXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-9(12)3-7-4-10(5-7)8-1-2-13-6-8/h7-8H,1-6H2,(H,11,12).
What are the key properties of 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid?
2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid has a molecular weight of 201.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiolan-3-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).