3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid

C10H9NO5 — CID 84735417

IUPAC3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)C1CN(c2cccc(O)c2)C(=O)O1
InChIInChI=1S/C10H9NO5/c12-7-3-1-2-6(4-7)11-5-8(9(13)14)16-10(11)15/h1-4,8,12H,5H2,(H,13,14)
InChIKeyNGUIUASGZJNHJD-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.80
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid

3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 84735417) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID84735417
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)C1CN(c2cccc(O)c2)C(=O)O1
InChIInChI=1S/C10H9NO5/c12-7-3-1-2-6(4-7)11-5-8(9(13)14)16-10(11)15/h1-4,8,12H,5H2,(H,13,14)
InChIKeyNGUIUASGZJNHJD-UHFFFAOYSA-N
XLogP0.80
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 84735417) is 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid is O=C(O)C1CN(c2cccc(O)c2)C(=O)O1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is NGUIUASGZJNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c12-7-3-1-2-6(4-7)11-5-8(9(13)14)16-10(11)15/h1-4,8,12H,5H2,(H,13,14).
What are the key properties of 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid?
3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 223.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 84735417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).