3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

C9H14FNO5S — CID 168674715

IUPAC3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-6(2-9(13)14)11-4-7(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyZWCULCKOTZSNAW-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.00
Rot. Bonds5

About 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid

3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 168674715) has the molecular formula C9H14FNO5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID168674715
Molecular FormulaC9H14FNO5S
Molecular Weight267.28 g/mol
Exact Mass267.06
IUPAC Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-6(2-9(13)14)11-4-7(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyZWCULCKOTZSNAW-UHFFFAOYSA-N
XLogP-0.00
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 168674715) is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is CC(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is ZWCULCKOTZSNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO5S/c1-6(2-9(13)14)11-4-7(3-8(11)12)5-17(10,15)16/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 168674715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).