4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

C9H13N3O5S — CID 43644264

IUPAC4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCC(N)=O)cc1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-2-12-5-6(3-7(12)9(14)15)18(16,17)11-4-8(10)13/h3,5,11H,2,4H2,1H3,(H2,10,13)(H,14,15)
InChIKeyVTYYPMYEKUKLBL-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.03
Rot. Bonds6

About 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (PubChem CID 43644264) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
PubChem CID43644264
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCC(N)=O)cc1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-2-12-5-6(3-7(12)9(14)15)18(16,17)11-4-8(10)13/h3,5,11H,2,4H2,1H3,(H2,10,13)(H,14,15)
InChIKeyVTYYPMYEKUKLBL-UHFFFAOYSA-N
XLogP-1.03
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640
1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60780498
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (CID 43644264) is 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCC(N)=O)cc1C(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is VTYYPMYEKUKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-2-12-5-6(3-7(12)9(14)15)18(16,17)11-4-8(10)13/h3,5,11H,2,4H2,1H3,(H2,10,13)(H,14,15).
What are the key properties of 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).