2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid

C8H15NO5S — CID 87391725

IUPAC2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
SMILESCS(=O)(=O)OCCC1CCCN1C(=O)O
InChIInChI=1S/C8H15NO5S/c1-15(12,13)14-6-4-7-3-2-5-9(7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyHTUJIYULZAEXFD-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.50
Rot. Bonds4

About 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid

2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid (PubChem CID 87391725) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
PubChem CID87391725
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
SMILESCS(=O)(=O)OCCC1CCCN1C(=O)O
InChIInChI=1S/C8H15NO5S/c1-15(12,13)14-6-4-7-3-2-5-9(7)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyHTUJIYULZAEXFD-UHFFFAOYSA-N
XLogP0.50
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylic acid
CID 57002173
(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
CID 54001407
2-[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl]ethyl methanesulfonate
CID 102373998
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
(2R)-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylic acid
CID 22867973
butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 164522994
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
(3S)-3-(methylsulfonyloxymethyl)morpholine-4-carboxylic acid
CID 170344357
2-nonylpiperidine-1-carboxylic acid
CID 69469776
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid (CID 87391725) is 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid is CS(=O)(=O)OCCC1CCCN1C(=O)O.
What is the InChIKey of 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is HTUJIYULZAEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-15(12,13)14-6-4-7-3-2-5-9(7)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid?
2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87391725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).