1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid

C12H23NO4S — CID 106978791

IUPAC1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCS(=O)(=O)CC
InChIInChI=1S/C12H23NO4S/c1-3-6-12(11(14)15)7-5-8-13(12)9-10-18(16,17)4-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyGIUKHDGAGACXRK-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.14
Rot. Bonds7

About 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978791) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978791
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CCS(=O)(=O)CC
InChIInChI=1S/C12H23NO4S/c1-3-6-12(11(14)15)7-5-8-13(12)9-10-18(16,17)4-2/h3-10H2,1-2H3,(H,14,15)
InChIKeyGIUKHDGAGACXRK-UHFFFAOYSA-N
XLogP1.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978859
1-[3-(methylcarbamoylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978985
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978881
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685
1-(3-chloro-2-methylprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106439339
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978791) is 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CCS(=O)(=O)CC.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GIUKHDGAGACXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-3-6-12(11(14)15)7-5-8-13(12)9-10-18(16,17)4-2/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).