1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

C11H18N2O5S — CID 120552016

IUPAC1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C11H18N2O5S/c1-2-12-19(17,18)8-3-6-13(7-8)9(14)11(4-5-11)10(15)16/h8,12H,2-7H2,1H3,(H,15,16)
InChIKeyHXYHYHVMHAOZPE-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.61
Rot. Bonds5

About 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 120552016) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID120552016
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C11H18N2O5S/c1-2-12-19(17,18)8-3-6-13(7-8)9(14)11(4-5-11)10(15)16/h8,12H,2-7H2,1H3,(H,15,16)
InChIKeyHXYHYHVMHAOZPE-UHFFFAOYSA-N
XLogP-0.61
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 120552016) is 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is CCNS(=O)(=O)C1CCN(C(=O)C2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is HXYHYHVMHAOZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-2-12-19(17,18)8-3-6-13(7-8)9(14)11(4-5-11)10(15)16/h8,12H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120552016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).