2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid

C8H15NO4S — CID 61372468

IUPAC2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
SMILESCCS(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-4-7(9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyXEAJJGYCEWMZAC-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds4

About 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid

2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid (PubChem CID 61372468) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
PubChem CID61372468
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
SMILESCCS(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-4-7(9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyXEAJJGYCEWMZAC-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]acetic acid
CID 61453655
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
CID 63689892
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]acetic acid
CID 63245000
2-[1-(3-ethoxy-3-oxopropyl)sulfonylpiperidin-2-yl]acetic acid
CID 61459168
2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 75517519
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
N-[(1-ethylsulfonylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 146100743
1-ethylsulfonylpyrrolidine-2-carbaldehyde
CID 55269064
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid (CID 61372468) is 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid is CCS(=O)(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid?
The InChIKey is XEAJJGYCEWMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-4-7(9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid?
2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 61372468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).