3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

C11H17N3O5S — CID 64670920

IUPAC3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H17N3O5S/c1-11(2,5-9(15)16)13-10(17)8-4-7(6-14(8)3)20(12,18)19/h4,6H,5H2,1-3H3,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeySAYOQUSHUSCSRO-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.34
Rot. Bonds5

About 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid

3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 64670920) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID64670920
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H17N3O5S/c1-11(2,5-9(15)16)13-10(17)8-4-7(6-14(8)3)20(12,18)19/h4,6H,5H2,1-3H3,(H,13,17)(H,15,16)(H2,12,18,19)
InChIKeySAYOQUSHUSCSRO-UHFFFAOYSA-N
XLogP-0.34
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
(2S)-4-amino-2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63713897
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611880
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103711873
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 62822599
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (CID 64670920) is 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is SAYOQUSHUSCSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-11(2,5-9(15)16)13-10(17)8-4-7(6-14(8)3)20(12,18)19/h4,6H,5H2,1-3H3,(H,13,17)(H,15,16)(H2,12,18,19).
What are the key properties of 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 303.34 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64670920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).