1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid

C7H12FNO4S — CID 118561854

IUPAC1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCS(=O)(=O)F
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)5-4-9-3-1-2-6(9)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyUAXZGOLDHAJLTG-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.17
Rot. Bonds4

About 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid

1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 118561854) has the molecular formula C7H12FNO4S and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
PubChem CID118561854
Molecular FormulaC7H12FNO4S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCS(=O)(=O)F
InChIInChI=1S/C7H12FNO4S/c8-14(12,13)5-4-9-3-1-2-6(9)7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyUAXZGOLDHAJLTG-UHFFFAOYSA-N
XLogP-0.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic 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

(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(3-ethylsulfonylpropyl)azocane-2-carboxylic acid
CID 114239893
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 79355389
CID 172742310
CID 172742310

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid (CID 118561854) is 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCS(=O)(=O)F.
What is the InChIKey of 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UAXZGOLDHAJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4S/c8-14(12,13)5-4-9-3-1-2-6(9)7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118561854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).