methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate

C15H18FNO5S — CID 168675500

IUPACmethyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H18FNO5S/c1-22-15(19)7-4-11-2-5-13(6-3-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyMVXKREAXANUTDT-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.44
Rot. Bonds6

About methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate

methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate (PubChem CID 168675500) has the molecular formula C15H18FNO5S and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate
PubChem CID168675500
Molecular FormulaC15H18FNO5S
Molecular Weight343.38 g/mol
Exact Mass343.09
IUPAC Namemethyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C15H18FNO5S/c1-22-15(19)7-4-11-2-5-13(6-3-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyMVXKREAXANUTDT-UHFFFAOYSA-N
XLogP1.44
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]propanoate
CID 168717232
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methoxybenzoic acid
CID 168675646
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674785
methyl 3-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]propanoate
CID 70077589
methyl 2-bromo-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675587
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
CID 10423122
methyl 3-amino-4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675534
[1-(4-methoxy-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675707

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate (CID 168675500) is methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate is COC(=O)CCc1ccc(N2CC(CS(=O)(=O)F)CC2=O)cc1.
What is the InChIKey of methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate?
The InChIKey is MVXKREAXANUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO5S/c1-22-15(19)7-4-11-2-5-13(6-3-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-3,5-6,12H,4,7-10H2,1H3.
What are the key properties of methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate?
methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate has a molecular weight of 343.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]phenyl]propanoate is sourced from PubChem (CID 168675500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).