2-(5-oxomorpholin-2-yl)benzoic acid

C11H11NO4 — CID 115032444

IUPAC2-(5-oxomorpholin-2-yl)benzoic acid
SMILESO=C1COC(c2ccccc2C(=O)O)CN1
InChIInChI=1S/C11H11NO4/c13-10-6-16-9(5-12-10)7-3-1-2-4-8(7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChIKeyHMPLYZBWXMWICJ-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.57
Rot. Bonds2

About 2-(5-oxomorpholin-2-yl)benzoic acid

2-(5-oxomorpholin-2-yl)benzoic acid (PubChem CID 115032444) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(5-oxomorpholin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-oxomorpholin-2-yl)benzoic acid
PubChem CID115032444
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(5-oxomorpholin-2-yl)benzoic acid
SMILESO=C1COC(c2ccccc2C(=O)O)CN1
InChIInChI=1S/C11H11NO4/c13-10-6-16-9(5-12-10)7-3-1-2-4-8(7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15)
InChIKeyHMPLYZBWXMWICJ-UHFFFAOYSA-N
XLogP0.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxomorpholin-2-yl)benzoic acid?
The IUPAC name of 2-(5-oxomorpholin-2-yl)benzoic acid (CID 115032444) is 2-(5-oxomorpholin-2-yl)benzoic acid.
What is the SMILES notation for 2-(5-oxomorpholin-2-yl)benzoic acid?
The canonical SMILES for 2-(5-oxomorpholin-2-yl)benzoic acid is O=C1COC(c2ccccc2C(=O)O)CN1.
What is the InChIKey of 2-(5-oxomorpholin-2-yl)benzoic acid?
The InChIKey is HMPLYZBWXMWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-10-6-16-9(5-12-10)7-3-1-2-4-8(7)11(14)15/h1-4,9H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(5-oxomorpholin-2-yl)benzoic acid?
2-(5-oxomorpholin-2-yl)benzoic acid has a molecular weight of 221.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxomorpholin-2-yl)benzoic acid is sourced from PubChem (CID 115032444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).