methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate

C11H15NO5S — CID 62007361

IUPACmethyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-17-11(14)9(7-13)12-8-5-3-4-6-10(8)18(2,15)16/h3-6,9,12-13H,7H2,1-2H3
InChIKeyUGPDPIPJHYWLQN-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.04
Rot. Bonds5

About methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate

methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate (PubChem CID 62007361) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate
PubChem CID62007361
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO5S/c1-17-11(14)9(7-13)12-8-5-3-4-6-10(8)18(2,15)16/h3-6,9,12-13H,7H2,1-2H3
InChIKeyUGPDPIPJHYWLQN-UHFFFAOYSA-N
XLogP0.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate (CID 62007361) is methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate is COC(=O)C(CO)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate?
The InChIKey is UGPDPIPJHYWLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-17-11(14)9(7-13)12-8-5-3-4-6-10(8)18(2,15)16/h3-6,9,12-13H,7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate?
methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methylsulfonylanilino)propanoate is sourced from PubChem (CID 62007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).