5-(2-hydroxyphenyl)morpholine-3-carboxylic acid

C11H13NO4 — CID 105480267

IUPAC5-(2-hydroxyphenyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(c2ccccc2O)N1
InChIInChI=1S/C11H13NO4/c13-10-4-2-1-3-7(10)8-5-16-6-9(12-8)11(14)15/h1-4,8-9,12-13H,5-6H2,(H,14,15)
InChIKeyUNXGQTPNZASLPY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.51
Rot. Bonds2

About 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid

5-(2-hydroxyphenyl)morpholine-3-carboxylic acid (PubChem CID 105480267) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)morpholine-3-carboxylic acid
PubChem CID105480267
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-(2-hydroxyphenyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCC(c2ccccc2O)N1
InChIInChI=1S/C11H13NO4/c13-10-4-2-1-3-7(10)8-5-16-6-9(12-8)11(14)15/h1-4,8-9,12-13H,5-6H2,(H,14,15)
InChIKeyUNXGQTPNZASLPY-UHFFFAOYSA-N
XLogP0.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid (CID 105480267) is 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid is O=C(O)C1COCC(c2ccccc2O)N1.
What is the InChIKey of 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid?
The InChIKey is UNXGQTPNZASLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10-4-2-1-3-7(10)8-5-16-6-9(12-8)11(14)15/h1-4,8-9,12-13H,5-6H2,(H,14,15).
What are the key properties of 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid?
5-(2-hydroxyphenyl)morpholine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 105480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).