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

C9H14N2O4S — CID 62675008

IUPAC2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
SMILESCC(CNS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-7(9(12)13)5-10-16(14,15)8-3-4-11(2)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,12,13)
InChIKeyGCVZUIZDBIPIDB-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.02
Rot. Bonds5

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

2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid (PubChem CID 62675008) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
PubChem CID62675008
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
SMILESCC(CNS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-7(9(12)13)5-10-16(14,15)8-3-4-11(2)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,12,13)
InChIKeyGCVZUIZDBIPIDB-UHFFFAOYSA-N
XLogP0.02
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956
2-hydroxy-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107835273
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107824095
CID 89275024
CID 89275024
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
3-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 55105551
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
2-ethyl-2-[[(1-methylpyrrol-3-yl)sulfonylamino]methyl]butanoic acid
CID 113308523
3-hydroxy-3-methyl-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 66002746
2-[(1-methylpyrrol-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43294298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid (CID 62675008) is 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid is CC(CNS(=O)(=O)c1ccn(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is GCVZUIZDBIPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-7(9(12)13)5-10-16(14,15)8-3-4-11(2)6-8/h3-4,6-7,10H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid?
2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 246.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 62675008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).