1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid

C13H22N2O5S — CID 120552013

IUPAC1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H22N2O5S/c1-2-14-21(19,20)10-4-7-15(9-10)11(16)8-13(12(17)18)5-3-6-13/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeySQKAIDXARNGBSD-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.17
Rot. Bonds6

About 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid

1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 120552013) has the molecular formula C13H22N2O5S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID120552013
Molecular FormulaC13H22N2O5S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)CC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H22N2O5S/c1-2-14-21(19,20)10-4-7-15(9-10)11(16)8-13(12(17)18)5-3-6-13/h10,14H,2-9H2,1H3,(H,17,18)
InChIKeySQKAIDXARNGBSD-UHFFFAOYSA-N
XLogP0.17
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120552016
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114678079
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43590255
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43437351
5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120552033
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63160394
(3R)-N-cyclopropyl-1-[2-[(1S)-3,3-dimethylcyclohexyl]acetyl]pyrrolidine-3-sulfonamide
CID 97244130

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 120552013) is 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid is CCNS(=O)(=O)C1CCN(C(=O)CC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is SQKAIDXARNGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-2-14-21(19,20)10-4-7-15(9-10)11(16)8-13(12(17)18)5-3-6-13/h10,14H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid?
1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120552013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).