2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid

C11H17N3O5S — CID 106341844

IUPAC2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCCNS(=O)(=O)CCNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H17N3O5S/c1-2-13-20(18,19)7-5-12-11(17)9-4-3-6-14(9)8-10(15)16/h3-4,6,13H,2,5,7-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyAOHWLQMKTYTAIW-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.76
Rot. Bonds8

About 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid

2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 106341844) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
PubChem CID106341844
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCCNS(=O)(=O)CCNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H17N3O5S/c1-2-13-20(18,19)7-5-12-11(17)9-4-3-6-14(9)8-10(15)16/h3-4,6,13H,2,5,7-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyAOHWLQMKTYTAIW-UHFFFAOYSA-N
XLogP-0.76
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-ethylsulfanylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 114248465
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
2-[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 114134247
2-[2-(3-piperazin-1-ylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79321926
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 80689527
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104764740

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid (CID 106341844) is 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid is CCNS(=O)(=O)CCNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is AOHWLQMKTYTAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-2-13-20(18,19)7-5-12-11(17)9-4-3-6-14(9)8-10(15)16/h3-4,6,13H,2,5,7-8H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 303.34 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 106341844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).