[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate

C7H13NO4S — CID 87271623

IUPAC[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate
SMILESC[C@]1(COS(C)(=O)=O)CCC(=O)N1
InChIInChI=1S/C7H13NO4S/c1-7(4-3-6(9)8-7)5-12-13(2,10)11/h3-5H2,1-2H3,(H,8,9)/t7-/m1/s1
InChIKeyAFDKXFWATLVHOW-SSDOTTSWSA-N
MW207.25 g/mol
LogP-0.37
Rot. Bonds3

About [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate

[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 87271623) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate
PubChem CID87271623
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate
SMILESC[C@]1(COS(C)(=O)=O)CCC(=O)N1
InChIInChI=1S/C7H13NO4S/c1-7(4-3-6(9)8-7)5-12-13(2,10)11/h3-5H2,1-2H3,(H,8,9)/t7-/m1/s1
InChIKeyAFDKXFWATLVHOW-SSDOTTSWSA-N
XLogP-0.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate (CID 87271623) is [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate is C[C@]1(COS(C)(=O)=O)CCC(=O)N1.
What is the InChIKey of [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is AFDKXFWATLVHOW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-7(4-3-6(9)8-7)5-12-13(2,10)11/h3-5H2,1-2H3,(H,8,9)/t7-/m1/s1.
What are the key properties of [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate?
[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 207.25 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-5-oxopyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 87271623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).