1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid

C14H25NO4S — CID 65068564

IUPAC1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H25NO4S/c1-3-7-14(13(16)17)8-9-15(10-14)11-5-4-6-12(11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyBBCJMDJERIQDPN-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65068564) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65068564
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C14H25NO4S/c1-3-7-14(13(16)17)8-9-15(10-14)11-5-4-6-12(11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyBBCJMDJERIQDPN-UHFFFAOYSA-N
XLogP1.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(2-methylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069035
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 65069192
1-(3-methyloxan-4-yl)-3-propylpiperidine-3-carboxylic acid
CID 114240734
1-(methylsulfonylmethylsulfonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 82838688
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid (CID 65068564) is 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCCC2S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is BBCJMDJERIQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-3-7-14(13(16)17)8-9-15(10-14)11-5-4-6-12(11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65068564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).