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

C11H18FNO5S — CID 168674701

IUPAC3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-7(2)9(4-11(15)16)13-5-8(3-10(13)14)6-19(12,17)18/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyHOGGOXSPZJZXPL-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.63
Rot. Bonds6

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

3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid (PubChem CID 168674701) has the molecular formula C11H18FNO5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
PubChem CID168674701
Molecular FormulaC11H18FNO5S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-7(2)9(4-11(15)16)13-5-8(3-10(13)14)6-19(12,17)18/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyHOGGOXSPZJZXPL-UHFFFAOYSA-N
XLogP0.63
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.63
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]-4-methylpentanoic acid?
The IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid (CID 168674701) is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
The canonical SMILES for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid is CC(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
The InChIKey is HOGGOXSPZJZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO5S/c1-7(2)9(4-11(15)16)13-5-8(3-10(13)14)6-19(12,17)18/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.63, 6 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]-4-methylpentanoic acid is sourced from PubChem (CID 168674701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).