8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid

C16H23NO5 — CID 10470574

IUPAC8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid
SMILESCOc1ccc(C(=O)NCCCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H23NO5/c1-22-12-8-9-13(14(18)11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSEXGCYGWQFHIF-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.56
Rot. Bonds10

About 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid

8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid (PubChem CID 10470574) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid
PubChem CID10470574
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid
SMILESCOc1ccc(C(=O)NCCCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H23NO5/c1-22-12-8-9-13(14(18)11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyQSEXGCYGWQFHIF-UHFFFAOYSA-N
XLogP2.56
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid (CID 10470574) is 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid is COc1ccc(C(=O)NCCCCCCCC(=O)O)c(O)c1.
What is the InChIKey of 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid?
The InChIKey is QSEXGCYGWQFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-22-12-8-9-13(14(18)11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid?
8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-hydroxy-4-methoxybenzoyl)amino]octanoic acid is sourced from PubChem (CID 10470574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).