(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate

C13H14FNO7S — CID 166157782

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate
SMILESCC(C(=O)ON1C(=O)CCC1O)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C13H14FNO7S/c1-8(13(18)21-15-11(16)6-7-12(15)17)9-2-4-10(5-3-9)22-23(14,19)20/h2-5,8,11,16H,6-7H2,1H3
InChIKeyRDPVVUFBNXGOOK-UHFFFAOYSA-N
MW347.32 g/mol
LogP0.78
Rot. Bonds5

About (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate (PubChem CID 166157782) has the molecular formula C13H14FNO7S and a molecular weight of 347.32 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate
PubChem CID166157782
Molecular FormulaC13H14FNO7S
Molecular Weight347.32 g/mol
Exact Mass347.05
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate
SMILESCC(C(=O)ON1C(=O)CCC1O)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C13H14FNO7S/c1-8(13(18)21-15-11(16)6-7-12(15)17)9-2-4-10(5-3-9)22-23(14,19)20/h2-5,8,11,16H,6-7H2,1H3
InChIKeyRDPVVUFBNXGOOK-UHFFFAOYSA-N
XLogP0.78
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
ethyl 2-(4-methylsulfonyloxyphenyl)propanoate
CID 87441895
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 10518539
1-(2-hydroxy-5-oxopyrrolidin-1-yl)oxy-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid
CID 130281860
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
methyl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate
CID 87296864
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
[4-[(2R)-1-oxo-1-(2-pyrrolidin-1-ylethylamino)propan-2-yl]phenyl] trifluoromethanesulfonate
CID 11234806
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
CID 155282634
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate (CID 166157782) is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate is CC(C(=O)ON1C(=O)CCC1O)c1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate?
The InChIKey is RDPVVUFBNXGOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO7S/c1-8(13(18)21-15-11(16)6-7-12(15)17)9-2-4-10(5-3-9)22-23(14,19)20/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate has a molecular weight of 347.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate is sourced from PubChem (CID 166157782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).