3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid

C13H24N2O5S — CID 63144412

IUPAC3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(19,20)14-10(3)11(16)15-7-6-13(5-2,9-15)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyURACCDDPEDEPGA-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.42
Rot. Bonds7

About 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63144412) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63144412
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(19,20)14-10(3)11(16)15-7-6-13(5-2,9-15)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyURACCDDPEDEPGA-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylic acid
CID 63133758
2-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 83058184
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
1-[2-(aminomethyl)-3-methylbutanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65228357
3-ethyl-1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63146127
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-[2-(carbamoylamino)-4-methylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144705
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-[2-(cyclopropylamino)acetyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 55164602
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107472114
3-ethyl-1-[(3-methoxy-2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63148190

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid (CID 63144412) is 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is URACCDDPEDEPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-8-21(19,20)14-10(3)11(16)15-7-6-13(5-2,9-15)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(propylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).