(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid

C15H18FNO5S — CID 129466486

IUPAC(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCC[C@H]1C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO5S/c1-10(23(21,22)12-6-4-11(16)5-7-12)9-14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyMXGOBDWHMSARMP-MFKMUULPSA-N
MW343.38 g/mol
LogP1.45
Rot. Bonds5

About (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 129466486) has the molecular formula C15H18FNO5S and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid
PubChem CID129466486
Molecular FormulaC15H18FNO5S
Molecular Weight343.38 g/mol
Exact Mass343.09
IUPAC Name(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](CC(=O)N1CCC[C@H]1C(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO5S/c1-10(23(21,22)12-6-4-11(16)5-7-12)9-14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyMXGOBDWHMSARMP-MFKMUULPSA-N
XLogP1.45
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]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-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
3-(4-fluorophenyl)sulfonyl-1-(2-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119470739
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one;hydrochloride
CID 119410098
(2S)-1-(4-propan-2-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119365064
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(3R)-3-(4-fluorophenyl)sulfonyl-1-[(3R)-3-methylpiperazin-1-yl]butan-1-one
CID 124620623
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one
CID 119622399
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid (CID 129466486) is (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid is C[C@H](CC(=O)N1CCC[C@H]1C(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MXGOBDWHMSARMP-MFKMUULPSA-N. The full InChI is InChI=1S/C15H18FNO5S/c1-10(23(21,22)12-6-4-11(16)5-7-12)9-14(18)17-8-2-3-13(17)15(19)20/h4-7,10,13H,2-3,8-9H2,1H3,(H,19,20)/t10-,13+/m1/s1.
What are the key properties of (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(4-fluorophenyl)sulfonylbutanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129466486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).