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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Related Compounds

1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552013
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120552033
N-ethyl-1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)pyrrolidine-3-sulfonamide
CID 154738206
N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
CID 139011765
1-[4-(propylsulfonylamino)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 146134409
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 106837028
N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
CID 75440596
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720

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).