4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid

C11H16N2O6S — CID 106668340

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CC(O)C(O)C2)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-2-12-4-7(3-8(12)11(16)17)20(18,19)13-5-9(14)10(15)6-13/h3-4,9-10,14-15H,2,5-6H2,1H3,(H,16,17)
InChIKeyWXYFTLKBTFIMQX-UHFFFAOYSA-N
MW304.32 g/mol
LogP-1.07
Rot. Bonds4

About 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid

4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid (PubChem CID 106668340) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
PubChem CID106668340
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N2CC(O)C(O)C2)cc1C(=O)O
InChIInChI=1S/C11H16N2O6S/c1-2-12-4-7(3-8(12)11(16)17)20(18,19)13-5-9(14)10(15)6-13/h3-4,9-10,14-15H,2,5-6H2,1H3,(H,16,17)
InChIKeyWXYFTLKBTFIMQX-UHFFFAOYSA-N
XLogP-1.07
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644162
1-ethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 61405035
1-ethyl-4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrrole-2-carboxylic acid
CID 62988344
4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 107215988
1-ethyl-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylic acid
CID 107215224
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-(2-ethylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644497
1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60952181
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644573
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
4-(4-ethylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 16780059

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid (CID 106668340) is 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)N2CC(O)C(O)C2)cc1C(=O)O.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is WXYFTLKBTFIMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-2-12-4-7(3-8(12)11(16)17)20(18,19)13-5-9(14)10(15)6-13/h3-4,9-10,14-15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid?
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 106668340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).