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

C10H15N3O5S — CID 16780234

IUPAC4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C10H15N3O5S/c1-13-6-7(19(11,17)18)5-8(13)10(16)12-4-2-3-9(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyPBMTVQSAZFHDBL-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.73
Rot. Bonds6

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

4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (PubChem CID 16780234) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
PubChem CID16780234
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCCC(=O)O
InChIInChI=1S/C10H15N3O5S/c1-13-6-7(19(11,17)18)5-8(13)10(16)12-4-2-3-9(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyPBMTVQSAZFHDBL-UHFFFAOYSA-N
XLogP-0.73
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
4-[(4-carbamoyl-1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 119352577
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid (CID 16780234) is 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
The InChIKey is PBMTVQSAZFHDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-13-6-7(19(11,17)18)5-8(13)10(16)12-4-2-3-9(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)(H2,11,17,18).
What are the key properties of 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid?
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 16780234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).