tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate

C11H20N2O6S — CID 104929274

IUPACtert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)NS(=O)(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6S/c1-11(2,3)19-9(14)8-6-5-7-13(8)20(16,17)12-10(15)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1
InChIKeyOQBNCGNBZRTSIL-MRVPVSSYSA-N
MW308.36 g/mol
LogP0.39
Rot. Bonds3

About tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate (PubChem CID 104929274) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
PubChem CID104929274
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Nametert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)NS(=O)(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6S/c1-11(2,3)19-9(14)8-6-5-7-13(8)20(16,17)12-10(15)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1
InChIKeyOQBNCGNBZRTSIL-MRVPVSSYSA-N
XLogP0.39
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 81004587
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005721
tert-butyl (2S)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxylate
CID 81004501
tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 81320304
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate
CID 138047842
methyl N-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114466523
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
tert-butyl (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidine-2-carboxylate
CID 95789114
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate (CID 104929274) is tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate is COC(=O)NS(=O)(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate?
The InChIKey is OQBNCGNBZRTSIL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-11(2,3)19-9(14)8-6-5-7-13(8)20(16,17)12-10(15)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 104929274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).