tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate

C13H22FNO5S — CID 168674829

IUPACtert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCC[C@H](C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H22FNO5S/c1-5-10(12(17)20-13(2,3)4)15-7-9(6-11(15)16)8-21(14,18)19/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyGJRHQSXPHLWUNA-QVDQXJPCSA-N
MW323.39 g/mol
LogP1.25
Rot. Bonds5

About tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate

tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate (PubChem CID 168674829) has the molecular formula C13H22FNO5S and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate
PubChem CID168674829
Molecular FormulaC13H22FNO5S
Molecular Weight323.39 g/mol
Exact Mass323.12
IUPAC Nametert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate
SMILESCC[C@H](C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H22FNO5S/c1-5-10(12(17)20-13(2,3)4)15-7-9(6-11(15)16)8-21(14,18)19/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyGJRHQSXPHLWUNA-QVDQXJPCSA-N
XLogP1.25
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate?
The IUPAC name of tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate (CID 168674829) is tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate.
What is the SMILES notation for tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate?
The canonical SMILES for tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate is CC[C@H](C(=O)OC(C)(C)C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate?
The InChIKey is GJRHQSXPHLWUNA-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H22FNO5S/c1-5-10(12(17)20-13(2,3)4)15-7-9(6-11(15)16)8-21(14,18)19/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate?
tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate has a molecular weight of 323.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoate is sourced from PubChem (CID 168674829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).