2-morpholin-4-ylbenzoic acid

C11H13NO3 — CID 2776561

IUPAC2-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCOCC1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKeyXUBUJTVBAXQIKG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.22
Rot. Bonds2

About 2-morpholin-4-ylbenzoic acid

2-morpholin-4-ylbenzoic acid (PubChem CID 2776561) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-morpholin-4-ylbenzoic acid
PubChem CID2776561
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCOCC1
InChIInChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKeyXUBUJTVBAXQIKG-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-morpholin-4-ylbenzoic acid (CID 2776561) is 2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-morpholin-4-ylbenzoic acid is O=C(O)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylbenzoic acid?
The InChIKey is XUBUJTVBAXQIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14).
What are the key properties of 2-morpholin-4-ylbenzoic acid?
2-morpholin-4-ylbenzoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 2776561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).