2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid

C10H13N3O2S — CID 107141146

IUPAC2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid
SMILESNc1cnccc1SC1(CC(=O)O)CNC1
InChIInChI=1S/C10H13N3O2S/c11-7-4-12-2-1-8(7)16-10(3-9(14)15)5-13-6-10/h1-2,4,13H,3,5-6,11H2,(H,14,15)
InChIKeyWFASEGABJXZCLL-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.57
Rot. Bonds4

About 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid

2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid (PubChem CID 107141146) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid
PubChem CID107141146
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid
SMILESNc1cnccc1SC1(CC(=O)O)CNC1
InChIInChI=1S/C10H13N3O2S/c11-7-4-12-2-1-8(7)16-10(3-9(14)15)5-13-6-10/h1-2,4,13H,3,5-6,11H2,(H,14,15)
InChIKeyWFASEGABJXZCLL-UHFFFAOYSA-N
XLogP0.57
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(3-amino-4-pyridinyl)sulfanyl]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-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid (CID 107141146) is 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid is Nc1cnccc1SC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid?
The InChIKey is WFASEGABJXZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-7-4-12-2-1-8(7)16-10(3-9(14)15)5-13-6-10/h1-2,4,13H,3,5-6,11H2,(H,14,15).
What are the key properties of 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid?
2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid has a molecular weight of 239.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-amino-4-pyridinyl)sulfanyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).