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

C7H12FNO4S — CID 98467966

IUPAC(2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CCS(=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)/t6-/m0/s1
InChIKeyUAXZGOLDHAJLTG-LURJTMIESA-N
MW225.24 g/mol
LogP-0.17
Rot. Bonds4

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

(2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 98467966) has the molecular formula C7H12FNO4S and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
PubChem CID98467966
Molecular FormulaC7H12FNO4S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name(2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1CCS(=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)/t6-/m0/s1
InChIKeyUAXZGOLDHAJLTG-LURJTMIESA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid (CID 98467966) is (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1CCS(=O)(=O)F.
What is the InChIKey of (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UAXZGOLDHAJLTG-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-(2-fluorosulfonylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 98467966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).