(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid

C9H15NO6S — CID 78923146

IUPAC(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO6S/c1-6(9(13)16-2)17(14,15)10-5-3-4-7(10)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)/t6?,7-/m1/s1
InChIKeyWGFPQKVIORTBIF-COBSHVIPSA-N
MW265.29 g/mol
LogP-0.57
Rot. Bonds4

About (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid

(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 78923146) has the molecular formula C9H15NO6S and a molecular weight of 265.29 g/mol. Its IUPAC name is (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID78923146
Molecular FormulaC9H15NO6S
Molecular Weight265.29 g/mol
Exact Mass265.06
IUPAC Name(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)C(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO6S/c1-6(9(13)16-2)17(14,15)10-5-3-4-7(10)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)/t6?,7-/m1/s1
InChIKeyWGFPQKVIORTBIF-COBSHVIPSA-N
XLogP-0.57
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
(3R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120444
(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 28606646
1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857629
methyl 2-(3-aminopiperidin-1-yl)sulfonylpropanoate
CID 61459472
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
(2S)-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929099
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
2-(2-methylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 61458091
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 78923146) is (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid is COC(=O)C(C)S(=O)(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is WGFPQKVIORTBIF-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15NO6S/c1-6(9(13)16-2)17(14,15)10-5-3-4-7(10)8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)/t6?,7-/m1/s1.
What are the key properties of (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methoxy-1-oxopropan-2-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).