2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid

C13H21NO5S — CID 103343032

IUPAC2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H21NO5S/c15-10-6-8-4-5-9(7-10)14(8)20(18,19)12-3-1-2-11(12)13(16)17/h8-12,15H,1-7H2,(H,16,17)
InChIKeyZVPMBQUNZBWOBE-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.56
Rot. Bonds3

About 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid

2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid (PubChem CID 103343032) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid
PubChem CID103343032
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H21NO5S/c15-10-6-8-4-5-9(7-10)14(8)20(18,19)12-3-1-2-11(12)13(16)17/h8-12,15H,1-7H2,(H,16,17)
InChIKeyZVPMBQUNZBWOBE-UHFFFAOYSA-N
XLogP0.56
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
3-(2,3-dicarboxycyclohexyl)sulfonylcyclohexane-1,2-dicarboxylic acid
CID 18976665
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]cyclopentane-1-carboxylic acid
CID 107215368
2-ethylsulfonylcyclohexane-1-carboxylic acid
CID 165462105
8-(chloromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770380
2-(2,5-dimethylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342422
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
8-pyrrolidin-3-ylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65416824

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid (CID 103343032) is 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZVPMBQUNZBWOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c15-10-6-8-4-5-9(7-10)14(8)20(18,19)12-3-1-2-11(12)13(16)17/h8-12,15H,1-7H2,(H,16,17).
What are the key properties of 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid?
2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).