2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H20N2O5S — CID 79863871

IUPAC2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)5-4-6-13(11)10(16)12(2)7-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15)
InChIKeyDOZSYQYOJUCGIR-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.02
Rot. Bonds4

About 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79863871) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79863871
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-11(9(14)15)5-4-6-13(11)10(16)12(2)7-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15)
InChIKeyDOZSYQYOJUCGIR-UHFFFAOYSA-N
XLogP0.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
2-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64642274
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598346
1-[2-(dimethylsulfamoyl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106341166
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 103112626
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 79863871) is 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(CCS(C)(=O)=O)C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DOZSYQYOJUCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(9(14)15)5-4-6-13(11)10(16)12(2)7-8-19(3,17)18/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).