methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate

C15H18FNO5S — CID 168674837

IUPACmethyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H18FNO5S/c1-22-15(19)13(7-11-5-3-2-4-6-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-6,12-13H,7-10H2,1H3/t12?,13-/m1/s1
InChIKeyINXKJUXRHSICGD-ZGTCLIOFSA-N
MW343.38 g/mol
LogP0.92
Rot. Bonds6

About methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate

methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate (PubChem CID 168674837) has the molecular formula C15H18FNO5S and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
PubChem CID168674837
Molecular FormulaC15H18FNO5S
Molecular Weight343.38 g/mol
Exact Mass343.09
IUPAC Namemethyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H18FNO5S/c1-22-15(19)13(7-11-5-3-2-4-6-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-6,12-13H,7-10H2,1H3/t12?,13-/m1/s1
InChIKeyINXKJUXRHSICGD-ZGTCLIOFSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate (CID 168674837) is methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate?
The InChIKey is INXKJUXRHSICGD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H18FNO5S/c1-22-15(19)13(7-11-5-3-2-4-6-11)17-9-12(8-14(17)18)10-23(16,20)21/h2-6,12-13H,7-10H2,1H3/t12?,13-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate?
methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate has a molecular weight of 343.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate is sourced from PubChem (CID 168674837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).