4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid

C10H14FNO6S — CID 168714750

IUPAC4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid
SMILESO=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CCOCC1
InChIInChI=1S/C10H14FNO6S/c11-19(16,17)7-5-8(13)12(6-7)10(9(14)15)1-3-18-4-2-10/h7H,1-6H2,(H,14,15)
InChIKeyQEELDFVUIXYXSK-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.48
Rot. Bonds3

About 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid

4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid (PubChem CID 168714750) has the molecular formula C10H14FNO6S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid
PubChem CID168714750
Molecular FormulaC10H14FNO6S
Molecular Weight295.29 g/mol
Exact Mass295.05
IUPAC Name4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid
SMILESO=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CCOCC1
InChIInChI=1S/C10H14FNO6S/c11-19(16,17)7-5-8(13)12(6-7)10(9(14)15)1-3-18-4-2-10/h7H,1-6H2,(H,14,15)
InChIKeyQEELDFVUIXYXSK-UHFFFAOYSA-N
XLogP-0.48
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylic acid
CID 168714744
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopropane-1-carboxylic acid
CID 168662970
4-(2,7-dioxoazepan-1-yl)oxane-4-carboxylic acid
CID 78969588
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
1-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclopentane-1-carboxylic acid
CID 168662973
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
1-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714996
4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
CID 113280487
3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168713105
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168715696
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168713067

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid (CID 168714750) is 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid is O=C1CC(S(=O)(=O)F)CN1C1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid?
The InChIKey is QEELDFVUIXYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO6S/c11-19(16,17)7-5-8(13)12(6-7)10(9(14)15)1-3-18-4-2-10/h7H,1-6H2,(H,14,15).
What are the key properties of 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid?
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 168714750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).