(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid

C19H20FNO5S — CID 118008148

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(COCc2ccccc2)CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO5S/c20-16-7-9-17(10-8-16)27(24,25)21-12-4-11-19(21,18(22)23)14-26-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,23)/t19-/m1/s1
InChIKeyIMGGCHKIUMUPPT-LJQANCHMSA-N
MW393.44 g/mol
LogP2.65
Rot. Bonds7

About (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 118008148) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID118008148
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(COCc2ccccc2)CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO5S/c20-16-7-9-17(10-8-16)27(24,25)21-12-4-11-19(21,18(22)23)14-26-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,23)/t19-/m1/s1
InChIKeyIMGGCHKIUMUPPT-LJQANCHMSA-N
XLogP2.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid (CID 118008148) is (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(COCc2ccccc2)CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IMGGCHKIUMUPPT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20FNO5S/c20-16-7-9-17(10-8-16)27(24,25)21-12-4-11-19(21,18(22)23)14-26-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118008148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).