1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid

C11H20N2O6S — CID 114462628

IUPAC1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)NC(=O)OCC)C1
InChIInChI=1S/C11H20N2O6S/c1-3-5-11(9(14)15)6-7-13(8-11)20(17,18)12-10(16)19-4-2/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNLSACPJGQFXSAX-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.55
Rot. Bonds6

About 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid

1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 114462628) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID114462628
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)NC(=O)OCC)C1
InChIInChI=1S/C11H20N2O6S/c1-3-5-11(9(14)15)6-7-13(8-11)20(17,18)12-10(16)19-4-2/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNLSACPJGQFXSAX-UHFFFAOYSA-N
XLogP0.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylsulfonylmethylsulfonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 82838688
ethyl N-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107161358
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
3-ethyl-1-(2-methoxyethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114814580
1-(3-methylphenyl)sulfonyl-3-propylpyrrolidine-3-carboxylic acid
CID 63149283
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
3-propyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 55165191
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid (CID 114462628) is 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(S(=O)(=O)NC(=O)OCC)C1.
What is the InChIKey of 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is NLSACPJGQFXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-3-5-11(9(14)15)6-7-13(8-11)20(17,18)12-10(16)19-4-2/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxycarbonylsulfamoyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114462628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).