[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate

C6H9NO5S — CID 140574997

IUPAC[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CC(=O)C(=O)N1
InChIInChI=1S/C6H9NO5S/c1-13(10,11)12-3-4-2-5(8)6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyYWYCLNDHZUXYRA-SCSAIBSYSA-N
MW207.21 g/mol
LogP-1.58
Rot. Bonds3

About [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate

[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 140574997) has the molecular formula C6H9NO5S and a molecular weight of 207.21 g/mol. Its IUPAC name is [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate
PubChem CID140574997
Molecular FormulaC6H9NO5S
Molecular Weight207.21 g/mol
Exact Mass207.02
IUPAC Name[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CC(=O)C(=O)N1
InChIInChI=1S/C6H9NO5S/c1-13(10,11)12-3-4-2-5(8)6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m1/s1
InChIKeyYWYCLNDHZUXYRA-SCSAIBSYSA-N
XLogP-1.58
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate (CID 140574997) is [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1CC(=O)C(=O)N1.
What is the InChIKey of [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is YWYCLNDHZUXYRA-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO5S/c1-13(10,11)12-3-4-2-5(8)6(9)7-4/h4H,2-3H2,1H3,(H,7,9)/t4-/m1/s1.
What are the key properties of [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate?
[(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 207.21 g/mol, XLogP of -1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,5-dioxopyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 140574997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).