2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C13H24N2O5S — CID 83058184

IUPAC2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-4-9-21(19,20)14-10(3)11(16)15-8-6-7-13(15,5-2)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyXMBYABKMLCFDGX-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.56
Rot. Bonds7

About 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83058184) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID83058184
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C13H24N2O5S/c1-4-9-21(19,20)14-10(3)11(16)15-8-6-7-13(15,5-2)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyXMBYABKMLCFDGX-UHFFFAOYSA-N
XLogP0.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63144412
3-methyl-1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylic acid
CID 63133758
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
N-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]propane-1-sulfonamide
CID 63605854
2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 43360267
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83063850
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 83058184) is 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XMBYABKMLCFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-9-21(19,20)14-10(3)11(16)15-8-6-7-13(15,5-2)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83058184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).