(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid

C10H15N3O5S — CID 30063127

IUPAC(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)O)n(C)c1
InChIInChI=1S/C10H15N3O5S/c1-6(10(15)16)12-9(14)8-4-7(5-13(8)3)19(17,18)11-2/h4-6,11H,1-3H3,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyGLCRFUMYHMDVAK-LURJTMIESA-N
MW289.31 g/mol
LogP-0.86
Rot. Bonds5

About (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid

(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid (PubChem CID 30063127) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
PubChem CID30063127
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)O)n(C)c1
InChIInChI=1S/C10H15N3O5S/c1-6(10(15)16)12-9(14)8-4-7(5-13(8)3)19(17,18)11-2/h4-6,11H,1-3H3,(H,12,14)(H,15,16)/t6-/m0/s1
InChIKeyGLCRFUMYHMDVAK-LURJTMIESA-N
XLogP-0.86
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]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

(2S,3R)-3-hydroxy-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104965020
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
2-hydroxy-4-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 107832704
1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 94490887
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
N,1-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]pyrrole-3-sulfonamide
CID 32925642
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
CID 94025999
N-(2-hydroxyethyl)-1-methyl-4-(methylsulfamoyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 43573443
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid (CID 30063127) is (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid is CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)O)n(C)c1.
What is the InChIKey of (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid?
The InChIKey is GLCRFUMYHMDVAK-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6(10(15)16)12-9(14)8-4-7(5-13(8)3)19(17,18)11-2/h4-6,11H,1-3H3,(H,12,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid?
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 30063127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).