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

C9H13N3O4S — CID 60653849

IUPACmethyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H13N3O4S/c1-16-9(13)4-5-11-8-3-2-7(6-12-8)17(10,14)15/h2-3,6H,4-5H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyZOTPQTSUDTUBEQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.30
Rot. Bonds5

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

methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate (PubChem CID 60653849) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
PubChem CID60653849
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Namemethyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C9H13N3O4S/c1-16-9(13)4-5-11-8-3-2-7(6-12-8)17(10,14)15/h2-3,6H,4-5H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyZOTPQTSUDTUBEQ-UHFFFAOYSA-N
XLogP-0.30
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
CID 62004980
6-(2-piperazin-1-ylethylamino)pyridine-3-sulfonamide
CID 43607786
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
CID 134319004
6-[(1-amino-3-methoxypropan-2-yl)amino]pyridine-3-sulfonamide
CID 106181963
6-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-sulfonamide
CID 174852454
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate (CID 60653849) is methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate is COC(=O)CCNc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate?
The InChIKey is ZOTPQTSUDTUBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-16-9(13)4-5-11-8-3-2-7(6-12-8)17(10,14)15/h2-3,6H,4-5H2,1H3,(H,11,12)(H2,10,14,15).
What are the key properties of methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate?
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate has a molecular weight of 259.29 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 60653849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).