4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

C9H14FNO5S — CID 168676392

IUPAC4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c10-17(15,16)6-7-4-8(12)11(5-7)3-1-2-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyWTKAYFRLEFEUFH-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.00
Rot. Bonds6

About 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 168676392) has the molecular formula C9H14FNO5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID168676392
Molecular FormulaC9H14FNO5S
Molecular Weight267.28 g/mol
Exact Mass267.06
IUPAC Name4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c10-17(15,16)6-7-4-8(12)11(5-7)3-1-2-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyWTKAYFRLEFEUFH-UHFFFAOYSA-N
XLogP-0.00
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 168676392) is 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is O=C(O)CCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is WTKAYFRLEFEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO5S/c10-17(15,16)6-7-4-8(12)11(5-7)3-1-2-9(13)14/h7H,1-6H2,(H,13,14).
What are the key properties of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 168676392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).