1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid

C11H19NO5S — CID 106977296

IUPAC1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-3-5-11(10(14)15)6-4-7-12(11)9(13)8-18(2,16)17/h3-8H2,1-2H3,(H,14,15)
InChIKeyRWPTVDUSNADBJS-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.28
Rot. Bonds5

About 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977296) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977296
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)CS(C)(=O)=O
InChIInChI=1S/C11H19NO5S/c1-3-5-11(10(14)15)6-4-7-12(11)9(13)8-18(2,16)17/h3-8H2,1-2H3,(H,14,15)
InChIKeyRWPTVDUSNADBJS-UHFFFAOYSA-N
XLogP0.28
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[4-(methylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976148
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-[4-(propan-2-ylamino)butanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976023
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237
1-[2-(4-aminopiperidin-1-yl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106975960
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976137

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977296) is 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is RWPTVDUSNADBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-5-11(10(14)15)6-4-7-12(11)9(13)8-18(2,16)17/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 277.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).