5-amino-2-octoxybenzoic acid

C15H23NO3 — CID 26240

IUPAC5-amino-2-octoxybenzoic acid
SMILESCCCCCCCCOc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(16)11-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChIKeyHPWUSHVGTQVRIV-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.71
Rot. Bonds9

About 5-amino-2-octoxybenzoic acid

5-amino-2-octoxybenzoic acid (PubChem CID 26240) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-amino-2-octoxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-octoxybenzoic acid
PubChem CID26240
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-amino-2-octoxybenzoic acid
SMILESCCCCCCCCOc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(16)11-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChIKeyHPWUSHVGTQVRIV-UHFFFAOYSA-N
XLogP3.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-octoxybenzoic acid?
The IUPAC name of 5-amino-2-octoxybenzoic acid (CID 26240) is 5-amino-2-octoxybenzoic acid.
What is the SMILES notation for 5-amino-2-octoxybenzoic acid?
The canonical SMILES for 5-amino-2-octoxybenzoic acid is CCCCCCCCOc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-octoxybenzoic acid?
The InChIKey is HPWUSHVGTQVRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(16)11-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-octoxybenzoic acid?
5-amino-2-octoxybenzoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-octoxybenzoic acid is sourced from PubChem (CID 26240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).