methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate

C11H20N2O6S — CID 15473606

IUPACmethyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6S/c1-11(2,3)19-10(15)12-20(16,17)13-7-5-6-8(13)9(14)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyMMCLYRSTZKPQDU-QMMMGPOBSA-N
MW308.36 g/mol
LogP0.39
Rot. Bonds3

About methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 15473606) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate
PubChem CID15473606
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Namemethyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O6S/c1-11(2,3)19-10(15)12-20(16,17)13-7-5-6-8(13)9(14)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyMMCLYRSTZKPQDU-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate (CID 15473606) is methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is MMCLYRSTZKPQDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-11(2,3)19-10(15)12-20(16,17)13-7-5-6-8(13)9(14)18-4/h8H,5-7H2,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]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 methyl (2S)-1-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 15473606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).