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

C11H18FNO5S — CID 168674694

IUPAC(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-11(2,3)9(10(15)16)13-5-7(4-8(13)14)6-19(12,17)18/h7,9H,4-6H2,1-3H3,(H,15,16)/t7?,9-/m1/s1
InChIKeyCIDQVSILUKMDKH-NHSZFOGYSA-N
MW295.33 g/mol
LogP0.63
Rot. Bonds4

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

(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid (PubChem CID 168674694) has the molecular formula C11H18FNO5S and a molecular weight of 295.33 g/mol. Its IUPAC name is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
PubChem CID168674694
Molecular FormulaC11H18FNO5S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H18FNO5S/c1-11(2,3)9(10(15)16)13-5-7(4-8(13)14)6-19(12,17)18/h7,9H,4-6H2,1-3H3,(H,15,16)/t7?,9-/m1/s1
InChIKeyCIDQVSILUKMDKH-NHSZFOGYSA-N
XLogP0.63
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

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
(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
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pent-4-ynoic acid
CID 168674661
2-[4-(Fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid (CID 168674694) is (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The InChIKey is CIDQVSILUKMDKH-NHSZFOGYSA-N. The full InChI is InChI=1S/C11H18FNO5S/c1-11(2,3)9(10(15)16)13-5-7(4-8(13)14)6-19(12,17)18/h7,9H,4-6H2,1-3H3,(H,15,16)/t7?,9-/m1/s1.
What are the key properties of (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 168674694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).