3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid

C10H15N3O5S — CID 62674475

IUPAC3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-6(10(15)16)4-12-19(17,18)7-3-8(9(11)14)13(2)5-7/h3,5-6,12H,4H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyBCXSHVKLZCCUGW-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.88
Rot. Bonds6

About 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid

3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 62674475) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID62674475
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-6(10(15)16)4-12-19(17,18)7-3-8(9(11)14)13(2)5-7/h3,5-6,12H,4H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyBCXSHVKLZCCUGW-UHFFFAOYSA-N
XLogP-0.88
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 ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic 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

4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
5-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682888
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
(2R)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010821
4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115301253
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-methoxypropanoic acid
CID 81078661
2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43245083
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid (CID 62674475) is 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid is CC(CNS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)O.
What is the InChIKey of 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is BCXSHVKLZCCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6(10(15)16)4-12-19(17,18)7-3-8(9(11)14)13(2)5-7/h3,5-6,12H,4H2,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid?
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62674475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).