2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid

C10H17NO4S — CID 83076062

IUPAC2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
SMILESC=CCS(=O)(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C10H17NO4S/c1-3-8-16(14,15)11-7-5-6-10(11,4-2)9(12)13/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyLQUGKPBVHAOIBU-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.83
Rot. Bonds5

About 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid

2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 83076062) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID83076062
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
SMILESC=CCS(=O)(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C10H17NO4S/c1-3-8-16(14,15)11-7-5-6-10(11,4-2)9(12)13/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyLQUGKPBVHAOIBU-UHFFFAOYSA-N
XLogP0.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyanomethylsulfonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075193
2-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075818
2-ethyl-1-(3-methoxypropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075904
1-(3,3-dimethylbutylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977421
1-(4-bromophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83075489
1-(2-methylpropylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977418
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 83059060
1-(3,4-dichlorophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83058888
1-(2-ethoxy-2-oxoethyl)sulfonyl-2-propylpyrrolidine-2-carboxylic acid
CID 106977413
1-(2,5-difluorophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83059045
1-benzylsulfonyl-2-propylpyrrolidine-2-carboxylic acid
CID 106977394

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid (CID 83076062) is 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid is C=CCS(=O)(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is LQUGKPBVHAOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-8-16(14,15)11-7-5-6-10(11,4-2)9(12)13/h3H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid?
2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83076062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).