1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid

C8H14N2O6S — CID 114462557

IUPAC1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-3-6(5-10)7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyXWVJBIFNNYAEIR-UHFFFAOYSA-N
MW266.27 g/mol
LogP-0.62
Rot. Bonds4

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

1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 114462557) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID114462557
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)NS(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-3-6(5-10)7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyXWVJBIFNNYAEIR-UHFFFAOYSA-N
XLogP-0.62
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethoxycarbonylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114462671
1-(Methoxycarbonylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114462672
1-(Methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114805995
1-(Dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
CID 143148076
1-(Diethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 63030448
1-(Dipropylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 63031321
1-[Butyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63032876
3-[[3-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 65686768
3-[(3-Methoxycarbonyl-4-methylpyrrolidin-1-yl)sulfonyl-methylamino]propanoic acid
CID 80351172
3-[(3-Methoxycarbonylpyrrolidin-1-yl)sulfonyl-methylamino]propanoic acid
CID 80351718
(3S,4S)-1-(ethoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105578833
(3S,4S)-4-methyl-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 105578844

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 114462557) is 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid is CCOC(=O)NS(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XWVJBIFNNYAEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-2-16-8(13)9-17(14,15)10-4-3-6(5-10)7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid?
1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114462557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).