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

C10H15N3O5S — CID 43644640

IUPAC4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)C(N)=O)cc1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-3-13-5-7(4-8(13)10(15)16)19(17,18)12-6(2)9(11)14/h4-6,12H,3H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyZJZBZBZVWVVPFK-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.64
Rot. Bonds6

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

4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (PubChem CID 43644640) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
PubChem CID43644640
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)C(N)=O)cc1C(=O)O
InChIInChI=1S/C10H15N3O5S/c1-3-13-5-7(4-8(13)10(15)16)19(17,18)12-6(2)9(11)14/h4-6,12H,3H2,1-2H3,(H2,11,14)(H,15,16)
InChIKeyZJZBZBZVWVVPFK-UHFFFAOYSA-N
XLogP-0.64
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60780498
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
1-ethyl-4-(2,2,2-trifluoroethoxysulfamoyl)pyrrole-2-carboxylic acid
CID 82706668

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (CID 43644640) is 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NC(C)C(N)=O)cc1C(=O)O.
What is the InChIKey of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is ZJZBZBZVWVVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-3-13-5-7(4-8(13)10(15)16)19(17,18)12-6(2)9(11)14/h4-6,12H,3H2,1-2H3,(H2,11,14)(H,15,16).
What are the key properties of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).