3-(quinolin-8-ylsulfonylamino)propanoic acid

C12H12N2O4S — CID 4133843

IUPAC3-(quinolin-8-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H12N2O4S/c15-11(16)6-8-14-19(17,18)10-5-1-3-9-4-2-7-13-12(9)10/h1-5,7,14H,6,8H2,(H,15,16)
InChIKeyWFMGWXVYMBAAQE-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.99
Rot. Bonds5

About 3-(quinolin-8-ylsulfonylamino)propanoic acid

3-(quinolin-8-ylsulfonylamino)propanoic acid (PubChem CID 4133843) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-(quinolin-8-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(quinolin-8-ylsulfonylamino)propanoic acid
PubChem CID4133843
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name3-(quinolin-8-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H12N2O4S/c15-11(16)6-8-14-19(17,18)10-5-1-3-9-4-2-7-13-12(9)10/h1-5,7,14H,6,8H2,(H,15,16)
InChIKeyWFMGWXVYMBAAQE-UHFFFAOYSA-N
XLogP0.99
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(quinolin-8-ylsulfonylamino)propanoic 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-(quinolin-8-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(quinolin-8-ylsulfonylamino)propanoic acid (CID 4133843) is 3-(quinolin-8-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(quinolin-8-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(quinolin-8-ylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylsulfonylamino)propanoic acid?
The InChIKey is WFMGWXVYMBAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-11(16)6-8-14-19(17,18)10-5-1-3-9-4-2-7-13-12(9)10/h1-5,7,14H,6,8H2,(H,15,16).
What are the key properties of 3-(quinolin-8-ylsulfonylamino)propanoic acid?
3-(quinolin-8-ylsulfonylamino)propanoic acid has a molecular weight of 280.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 4133843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).