3-acetamido-4-morpholin-4-ylbenzoic acid

C13H16N2O4 — CID 1133624

IUPAC3-acetamido-4-morpholin-4-ylbenzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C13H16N2O4/c1-9(16)14-11-8-10(13(17)18)2-3-12(11)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyRFVGLZKCGGAOQC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.18
Rot. Bonds3

About 3-acetamido-4-morpholin-4-ylbenzoic acid

3-acetamido-4-morpholin-4-ylbenzoic acid (PubChem CID 1133624) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-acetamido-4-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name3-acetamido-4-morpholin-4-ylbenzoic acid
PubChem CID1133624
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-acetamido-4-morpholin-4-ylbenzoic acid
SMILESCC(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C13H16N2O4/c1-9(16)14-11-8-10(13(17)18)2-3-12(11)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyRFVGLZKCGGAOQC-UHFFFAOYSA-N
XLogP1.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-morpholin-4-ylbenzoic acid?
The IUPAC name of 3-acetamido-4-morpholin-4-ylbenzoic acid (CID 1133624) is 3-acetamido-4-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 3-acetamido-4-morpholin-4-ylbenzoic acid?
The canonical SMILES for 3-acetamido-4-morpholin-4-ylbenzoic acid is CC(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1.
What is the InChIKey of 3-acetamido-4-morpholin-4-ylbenzoic acid?
The InChIKey is RFVGLZKCGGAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)14-11-8-10(13(17)18)2-3-12(11)15-4-6-19-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-acetamido-4-morpholin-4-ylbenzoic acid?
3-acetamido-4-morpholin-4-ylbenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 1133624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).