2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

C13H21NO6S — CID 103342838

IUPAC2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO6S/c1-2-20-13(17)10-6-4-8-14(10)21(18,19)11-7-3-5-9(11)12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyAMVZHRCHUCAJMP-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.60
Rot. Bonds5

About 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid

2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103342838) has the molecular formula C13H21NO6S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
PubChem CID103342838
Molecular FormulaC13H21NO6S
Molecular Weight319.38 g/mol
Exact Mass319.11
IUPAC Name2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO6S/c1-2-20-13(17)10-6-4-8-14(10)21(18,19)11-7-3-5-9(11)12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyAMVZHRCHUCAJMP-UHFFFAOYSA-N
XLogP0.60
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-carbamoylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103342291
2-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342466
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
2-(2-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978462
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)cyclopentane-1-carboxylic acid
CID 103343131
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]propanoic acid
CID 43362296
ethyl 1-(3,5-dimethylpiperazin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 63871963
2-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylamino]-2-methylpropanoic acid
CID 61263229
ethyl 1-[(2-amino-2-methylpropyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 115303483
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid (CID 103342838) is 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is CCOC(=O)C1CCCN1S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is AMVZHRCHUCAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO6S/c1-2-20-13(17)10-6-4-8-14(10)21(18,19)11-7-3-5-9(11)12(15)16/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid?
2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).