(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid

C17H21NO5S — CID 125134764

IUPAC(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C17H21NO5S/c19-16(18-10-9-13(11-18)17(20)21)12-5-7-15(8-6-12)24(22,23)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,20,21)/t13-/m1/s1
InChIKeyNNUHZBVKNSGZNZ-CYBMUJFWSA-N
MW351.42 g/mol
LogP1.95
Rot. Bonds4

About (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid

(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 125134764) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID125134764
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C17H21NO5S/c19-16(18-10-9-13(11-18)17(20)21)12-5-7-15(8-6-12)24(22,23)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,20,21)/t13-/m1/s1
InChIKeyNNUHZBVKNSGZNZ-CYBMUJFWSA-N
XLogP1.95
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-ethylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134918
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-[4-(dimethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354199
(4-cyclopentylsulfonylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637060
4-cycloheptylsulfonylbenzoic acid
CID 82925823
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid (CID 125134764) is (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1.
What is the InChIKey of (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NNUHZBVKNSGZNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO5S/c19-16(18-10-9-13(11-18)17(20)21)12-5-7-15(8-6-12)24(22,23)14-3-1-2-4-14/h5-8,13-14H,1-4,9-11H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 351.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125134764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).