2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid

C14H25NO4S — CID 83080272

IUPAC2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H25NO4S/c1-3-14(13(16)17)8-5-9-15(14)11-6-4-7-12(10-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyFPYMOYLHQLGLDX-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.67
Rot. Bonds4

About 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080272) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid
PubChem CID83080272
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H25NO4S/c1-3-14(13(16)17)8-5-9-15(14)11-6-4-7-12(10-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyFPYMOYLHQLGLDX-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-ethylcycloheptyl)pyrrolidine-2-carboxylic acid
CID 83080208
2-ethyl-1-(oxepan-4-yl)pyrrolidine-2-carboxylic acid
CID 83080819
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
CID 114511142
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 83071062
2-ethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075818
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
2-ethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 83063730
2-ethyl-1-(3-methoxypropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 83075904

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid (CID 83080272) is 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FPYMOYLHQLGLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-3-14(13(16)17)8-5-9-15(14)11-6-4-7-12(10-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methylsulfonylcyclohexyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).