2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid

C8H16N2O4S — CID 114805816

IUPAC2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
SMILESCCNS(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C8H16N2O4S/c1-2-9-15(13,14)10-5-3-4-7(10)6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyKHSBKCBQOJDMHH-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.22
Rot. Bonds5

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

2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 114805816) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID114805816
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
SMILESCCNS(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C8H16N2O4S/c1-2-9-15(13,14)10-5-3-4-7(10)6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyKHSBKCBQOJDMHH-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid (CID 114805816) is 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid is CCNS(=O)(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is KHSBKCBQOJDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-9-15(13,14)10-5-3-4-7(10)6-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 114805816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).