2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid

C8H12N2O4S — CID 43294308

IUPAC2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C8H12N2O4S/c1-6(8(11)12)9-15(13,14)7-3-4-10(2)5-7/h3-6,9H,1-2H3,(H,11,12)
InChIKeyLFMKTHSWBOLQII-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.22
Rot. Bonds4

About 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid

2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid (PubChem CID 43294308) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
PubChem CID43294308
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C8H12N2O4S/c1-6(8(11)12)9-15(13,14)7-3-4-10(2)5-7/h3-6,9H,1-2H3,(H,11,12)
InChIKeyLFMKTHSWBOLQII-UHFFFAOYSA-N
XLogP-0.22
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid (CID 43294308) is 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is LFMKTHSWBOLQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-6(8(11)12)9-15(13,14)7-3-4-10(2)5-7/h3-6,9H,1-2H3,(H,11,12).
What are the key properties of 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 232.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43294308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).