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

C12H20FNO5S — CID 168674667

IUPAC3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H20FNO5S/c1-12(2,3)9(5-11(16)17)14-6-8(4-10(14)15)7-20(13,18)19/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyKNFRHVUZQXZUGG-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.02
Rot. Bonds5

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

3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid (PubChem CID 168674667) has the molecular formula C12H20FNO5S and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid
PubChem CID168674667
Molecular FormulaC12H20FNO5S
Molecular Weight309.36 g/mol
Exact Mass309.10
IUPAC Name3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H20FNO5S/c1-12(2,3)9(5-11(16)17)14-6-8(4-10(14)15)7-20(13,18)19/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyKNFRHVUZQXZUGG-UHFFFAOYSA-N
XLogP1.02
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168674628
(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168674629
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168674631
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674666
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168674694
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 168674701
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 168674704
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 168674708
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168674715
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
CID 168674721
3-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168674790
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168674801

Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid (CID 168674667) is 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid is CC(C)(C)C(CC(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid?
The InChIKey is KNFRHVUZQXZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO5S/c1-12(2,3)9(5-11(16)17)14-6-8(4-10(14)15)7-20(13,18)19/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid?
3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4,4-dimethylpentanoic acid has a molecular weight of 309.36 g/mol, XLogP of 1.02, 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]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 168674667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).