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

C9H14FNO5S — CID 168675038

IUPAC2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-9(2,8(13)14)11-4-6(3-7(11)12)5-17(10,15)16/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQTSJWKCCUBOZGI-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.00
Rot. Bonds4

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

2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid (PubChem CID 168675038) has the molecular formula C9H14FNO5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
PubChem CID168675038
Molecular FormulaC9H14FNO5S
Molecular Weight267.28 g/mol
Exact Mass267.06
IUPAC Name2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H14FNO5S/c1-9(2,8(13)14)11-4-6(3-7(11)12)5-17(10,15)16/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQTSJWKCCUBOZGI-UHFFFAOYSA-N
XLogP-0.00
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-methylbut-3-yn-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675037
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
(2S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 168674691
(3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674692
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674669
tert-butyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]azetidine-1-carboxylate
CID 168675053
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2R)-3-(carboxymethylsulfanyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674998
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
CID 168674722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid (CID 168675038) is 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is QTSJWKCCUBOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO5S/c1-9(2,8(13)14)11-4-6(3-7(11)12)5-17(10,15)16/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid?
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.00, 4 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]-2-methylpropanoic acid is sourced from PubChem (CID 168675038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).