4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid

C14H19NO5S — CID 43453608

IUPAC4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)c1ccccc1N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-2-7-21(19,20)13-6-4-3-5-11(13)15-9-10(16)8-12(15)14(17)18/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyZVOJSAZTCMHYTJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.89
Rot. Bonds5

About 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 43453608) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid
PubChem CID43453608
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)c1ccccc1N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H19NO5S/c1-2-7-21(19,20)13-6-4-3-5-11(13)15-9-10(16)8-12(15)14(17)18/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyZVOJSAZTCMHYTJ-UHFFFAOYSA-N
XLogP0.89
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylsulfonylphenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43453509
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
CID 62585382
2-(chloromethyl)-3-methyl-1-(2-propylsulfonylphenyl)pyrrolidine
CID 102785770
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
3-(2-bromoethyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 114800733
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
CID 114427524
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43092681
(2S)-4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61144403
2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 63389913
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid (CID 43453608) is 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid is CCCS(=O)(=O)c1ccccc1N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZVOJSAZTCMHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-7-21(19,20)13-6-4-3-5-11(13)15-9-10(16)8-12(15)14(17)18/h3-6,10,12,16H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43453608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).