2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid

C8H15NO5S — CID 103355712

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H15NO5S/c1-6(7(10)11)15(13,14)9-4-3-8(2,12)5-9/h6,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyRALNOQNAWYXXNM-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.75
Rot. Bonds3

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid

2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid (PubChem CID 103355712) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid
PubChem CID103355712
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H15NO5S/c1-6(7(10)11)15(13,14)9-4-3-8(2,12)5-9/h6,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyRALNOQNAWYXXNM-UHFFFAOYSA-N
XLogP-0.75
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54947759
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CID 61457828
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CID 61454331
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3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoic acid
CID 103356700
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2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid (CID 103355712) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid is CC(C(=O)O)S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid?
The InChIKey is RALNOQNAWYXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-6(7(10)11)15(13,14)9-4-3-8(2,12)5-9/h6,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 103355712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).