4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C10H14N2O6S — CID 82880853

IUPAC4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-5-8(9(13)14)7(4-11-5)12-19(16,17)6(2)10(15)18-3/h4,6,11-12H,1-3H3,(H,13,14)
InChIKeyMUUVTCAMASWIFS-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.32
Rot. Bonds5

About 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880853) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880853
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C10H14N2O6S/c1-5-8(9(13)14)7(4-11-5)12-19(16,17)6(2)10(15)18-3/h4,6,11-12H,1-3H3,(H,13,14)
InChIKeyMUUVTCAMASWIFS-UHFFFAOYSA-N
XLogP0.32
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877469
3,6-dichloro-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 107049509
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
methyl 2-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 106954607
4-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 61458795
ethyl 2-methyl-4-(3-methylbutylsulfonylamino)-1H-pyrrole-3-carboxylate
CID 82881335
methyl 2-[(4-amino-2-methylphenyl)sulfamoyl]propanoate
CID 54951259
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]pyrazine-2-carboxylic acid
CID 55167276
4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877605
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 62072595
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881181
4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877606

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880853) is 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is COC(=O)C(C)S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is MUUVTCAMASWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-5-8(9(13)14)7(4-11-5)12-19(16,17)6(2)10(15)18-3/h4,6,11-12H,1-3H3,(H,13,14).
What are the key properties of 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).