3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid

C16H21NO7S — CID 118050768

IUPAC3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
SMILESCOCc1ccc(N2CC(CC(C)(C(=O)O)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C16H21NO7S/c1-16(14(18)19,25(3,21)22)8-13-9-17(15(20)24-13)12-6-4-11(5-7-12)10-23-2/h4-7,13H,8-10H2,1-3H3,(H,18,19)
InChIKeyXHBBSKJXHDSKHO-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.44
Rot. Bonds7

About 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid

3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid (PubChem CID 118050768) has the molecular formula C16H21NO7S and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
PubChem CID118050768
Molecular FormulaC16H21NO7S
Molecular Weight371.41 g/mol
Exact Mass371.10
IUPAC Name3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
SMILESCOCc1ccc(N2CC(CC(C)(C(=O)O)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C16H21NO7S/c1-16(14(18)19,25(3,21)22)8-13-9-17(15(20)24-13)12-6-4-11(5-7-12)10-23-2/h4-7,13H,8-10H2,1-3H3,(H,18,19)
InChIKeyXHBBSKJXHDSKHO-UHFFFAOYSA-N
XLogP1.44
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid?
The IUPAC name of 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid (CID 118050768) is 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid.
What is the SMILES notation for 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid?
The canonical SMILES for 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid is COCc1ccc(N2CC(CC(C)(C(=O)O)S(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid?
The InChIKey is XHBBSKJXHDSKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO7S/c1-16(14(18)19,25(3,21)22)8-13-9-17(15(20)24-13)12-6-4-11(5-7-12)10-23-2/h4-7,13H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid?
3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid has a molecular weight of 371.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid is sourced from PubChem (CID 118050768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).