2-amino-5-morpholin-4-ylbenzoic acid

C11H14N2O3 — CID 7063887

IUPAC2-amino-5-morpholin-4-ylbenzoic acid
SMILESNc1ccc(N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKeyHFHMPAKMODSNJN-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-5-morpholin-4-ylbenzoic acid

2-amino-5-morpholin-4-ylbenzoic acid (PubChem CID 7063887) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-5-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-morpholin-4-ylbenzoic acid
PubChem CID7063887
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-5-morpholin-4-ylbenzoic acid
SMILESNc1ccc(N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKeyHFHMPAKMODSNJN-UHFFFAOYSA-N
XLogP0.80
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-amino-5-morpholin-4-ylbenzoic acid (CID 7063887) is 2-amino-5-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-amino-5-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-amino-5-morpholin-4-ylbenzoic acid is Nc1ccc(N2CCOCC2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-morpholin-4-ylbenzoic acid?
The InChIKey is HFHMPAKMODSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15).
What are the key properties of 2-amino-5-morpholin-4-ylbenzoic acid?
2-amino-5-morpholin-4-ylbenzoic acid has a molecular weight of 222.24 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 2-amino-5-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 7063887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).