methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate

C11H17N3O4S — CID 62006413

IUPACmethyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate
SMILESCOC(=O)C(Nc1ccc(S(N)(=O)=O)cn1)C(C)C
InChIInChI=1S/C11H17N3O4S/c1-7(2)10(11(15)18-3)14-9-5-4-8(6-13-9)19(12,16)17/h4-7,10H,1-3H3,(H,13,14)(H2,12,16,17)
InChIKeyZGFAKAWLRAIQPY-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.34
Rot. Bonds5

About methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate

methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate (PubChem CID 62006413) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate
PubChem CID62006413
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate
SMILESCOC(=O)C(Nc1ccc(S(N)(=O)=O)cn1)C(C)C
InChIInChI=1S/C11H17N3O4S/c1-7(2)10(11(15)18-3)14-9-5-4-8(6-13-9)19(12,16)17/h4-7,10H,1-3H3,(H,13,14)(H2,12,16,17)
InChIKeyZGFAKAWLRAIQPY-UHFFFAOYSA-N
XLogP0.34
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate 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 methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate (CID 62006413) is methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate is COC(=O)C(Nc1ccc(S(N)(=O)=O)cn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate?
The InChIKey is ZGFAKAWLRAIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(2)10(11(15)18-3)14-9-5-4-8(6-13-9)19(12,16)17/h4-7,10H,1-3H3,(H,13,14)(H2,12,16,17).
What are the key properties of methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate?
methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate has a molecular weight of 287.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]butanoate is sourced from PubChem (CID 62006413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).