4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

C12H15NO6S — CID 43092681

IUPAC4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C12H15NO6S/c1-19-10-4-2-3-5-11(10)20(17,18)13-7-8(14)6-9(13)12(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)
InChIKeyBTOOQHDSOQEVSC-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.10
Rot. Bonds4

About 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43092681) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43092681
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C12H15NO6S/c1-19-10-4-2-3-5-11(10)20(17,18)13-7-8(14)6-9(13)12(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)
InChIKeyBTOOQHDSOQEVSC-UHFFFAOYSA-N
XLogP-0.10
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 43092681) is 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid is COc1ccccc1S(=O)(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is BTOOQHDSOQEVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-19-10-4-2-3-5-11(10)20(17,18)13-7-8(14)6-9(13)12(15)16/h2-5,8-9,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43092681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).