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

C10H16FNO5S — CID 168674697

IUPAC2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO5S/c1-6(2)9(10(14)15)12-4-7(3-8(12)13)5-18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyJTUFVOYROLULMS-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.24
Rot. Bonds5

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

2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid (PubChem CID 168674697) has the molecular formula C10H16FNO5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
PubChem CID168674697
Molecular FormulaC10H16FNO5S
Molecular Weight281.31 g/mol
Exact Mass281.07
IUPAC Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H16FNO5S/c1-6(2)9(10(14)15)12-4-7(3-8(12)13)5-18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)
InChIKeyJTUFVOYROLULMS-UHFFFAOYSA-N
XLogP0.24
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(Fluorosulfonyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 165870504
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674619
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]-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 168674634
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylsulfinylbutanoic acid
CID 168674635
(2S,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674636
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168674638
(2R,3S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 168674639
(2S,3R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methoxybutanoic acid
CID 168674640
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-ynoic acid
CID 168674660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid?
The IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid (CID 168674697) is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid?
The canonical SMILES for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid is CC(C)C(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid?
The InChIKey is JTUFVOYROLULMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO5S/c1-6(2)9(10(14)15)12-4-7(3-8(12)13)5-18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid?
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid is sourced from PubChem (CID 168674697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).