1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid

C11H21NO5S — CID 122071041

IUPAC1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)(C)CS(=O)(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO5S/c1-10(2,17-4)8-18(15,16)12-6-5-11(3,7-12)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyVYERZXORJQUEGT-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.54
Rot. Bonds5

About 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid

1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122071041) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122071041
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
SMILESCOC(C)(C)CS(=O)(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H21NO5S/c1-10(2,17-4)8-18(15,16)12-6-5-11(3,7-12)9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKeyVYERZXORJQUEGT-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxybutylsulfonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122103589
1-(6-methoxy-6-oxohexyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 122071016
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
1-(dipropylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149519
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 64987808
1-[(3-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122071062
1-(2,5-difluorophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63146157
1-(1-ethylsulfonylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256328
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145667

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid (CID 122071041) is 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid is COC(C)(C)CS(=O)(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VYERZXORJQUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-10(2,17-4)8-18(15,16)12-6-5-11(3,7-12)9(13)14/h5-8H2,1-4H3,(H,13,14).
What are the key properties of 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid?
1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122071041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).