2-(1-sulfamoylcyclopropyl)acetic acid

C5H9NO4S — CID 165438305

IUPAC2-(1-sulfamoylcyclopropyl)acetic acid
SMILESNS(=O)(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C5H9NO4S/c6-11(9,10)5(1-2-5)3-4(7)8/h1-3H2,(H,7,8)(H2,6,9,10)
InChIKeyGTLHHMBOMVBHCB-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.72
Rot. Bonds3

About 2-(1-sulfamoylcyclopropyl)acetic acid

2-(1-sulfamoylcyclopropyl)acetic acid (PubChem CID 165438305) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(1-sulfamoylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-sulfamoylcyclopropyl)acetic acid
PubChem CID165438305
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-(1-sulfamoylcyclopropyl)acetic acid
SMILESNS(=O)(=O)C1(CC(=O)O)CC1
InChIInChI=1S/C5H9NO4S/c6-11(9,10)5(1-2-5)3-4(7)8/h1-3H2,(H,7,8)(H2,6,9,10)
InChIKeyGTLHHMBOMVBHCB-UHFFFAOYSA-N
XLogP-0.72
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Sulfamoylcyclopropane-1-carboxylic acid
CID 22149150
2-Methyl-2-sulfamoylbutanoic acid
CID 23171219
5-Sulfamoylpentanoic acid
CID 57172024
3-Sulfamoylcyclobutane-1-carboxylic acid
CID 155973539
3-Methyl-5-sulfamoylpentanoic acid
CID 172766329
2-Sulfamoylcyclobutane-1-carboxylic acid
CID 130815400
trans-(1S,2R)-2-sulfamoylcyclobutane-1-carboxylic acid
CID 131098113
1-Sulfamoylcyclobutane-1-carboxylic acid
CID 132372788
2-(1-Sulfinamoylcyclopropyl)acetic acid
CID 143564132

Frequently Asked Questions

What is the IUPAC name of 2-(1-sulfamoylcyclopropyl)acetic acid?
The IUPAC name of 2-(1-sulfamoylcyclopropyl)acetic acid (CID 165438305) is 2-(1-sulfamoylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-sulfamoylcyclopropyl)acetic acid?
The canonical SMILES for 2-(1-sulfamoylcyclopropyl)acetic acid is NS(=O)(=O)C1(CC(=O)O)CC1.
What is the InChIKey of 2-(1-sulfamoylcyclopropyl)acetic acid?
The InChIKey is GTLHHMBOMVBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c6-11(9,10)5(1-2-5)3-4(7)8/h1-3H2,(H,7,8)(H2,6,9,10).
What are the key properties of 2-(1-sulfamoylcyclopropyl)acetic acid?
2-(1-sulfamoylcyclopropyl)acetic acid has a molecular weight of 179.20 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-sulfamoylcyclopropyl)acetic acid is sourced from PubChem (CID 165438305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).