3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid

C12H17NO5S — CID 81259042

IUPAC3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-3-13(8-7-12(14)15)19(16,17)11-6-4-5-10(9-11)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyQAZDOPKLISWQEZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.18
Rot. Bonds7

About 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid

3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 81259042) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID81259042
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-3-13(8-7-12(14)15)19(16,17)11-6-4-5-10(9-11)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyQAZDOPKLISWQEZ-UHFFFAOYSA-N
XLogP1.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-(3-methoxyphenyl)sulfonylamino]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

Related Compounds

3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872
3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoic acid
CID 61008749
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519
3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 174546129
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
3-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]propanoic acid
CID 61010738
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid (CID 81259042) is 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is QAZDOPKLISWQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-13(8-7-12(14)15)19(16,17)11-6-4-5-10(9-11)18-2/h4-6,9H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid?
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 81259042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).