4-[(2-morpholin-4-ylacetyl)amino]benzoic acid

C13H16N2O4 — CID 863541

IUPAC4-[(2-morpholin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CN1CCOCC1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c16-12(9-15-5-7-19-8-6-15)14-11-3-1-10(2-4-11)13(17)18/h1-4H,5-9H2,(H,14,16)(H,17,18)
InChIKeyPIJNTHAFIUQZQA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.66
Rot. Bonds4

About 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid

4-[(2-morpholin-4-ylacetyl)amino]benzoic acid (PubChem CID 863541) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylacetyl)amino]benzoic acid
PubChem CID863541
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(2-morpholin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CN1CCOCC1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H16N2O4/c16-12(9-15-5-7-19-8-6-15)14-11-3-1-10(2-4-11)13(17)18/h1-4H,5-9H2,(H,14,16)(H,17,18)
InChIKeyPIJNTHAFIUQZQA-UHFFFAOYSA-N
XLogP0.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid (CID 863541) is 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid is O=C(CN1CCOCC1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid?
The InChIKey is PIJNTHAFIUQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(9-15-5-7-19-8-6-15)14-11-3-1-10(2-4-11)13(17)18/h1-4H,5-9H2,(H,14,16)(H,17,18).
What are the key properties of 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid?
4-[(2-morpholin-4-ylacetyl)amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 863541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).