8-[(3-hydroxybenzoyl)amino]octanoic acid

C15H21NO4 — CID 10826528

IUPAC8-[(3-hydroxybenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H21NO4/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19)
InChIKeyXDKFRPWIWLQBHG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.55
Rot. Bonds9

About 8-[(3-hydroxybenzoyl)amino]octanoic acid

8-[(3-hydroxybenzoyl)amino]octanoic acid (PubChem CID 10826528) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-[(3-hydroxybenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(3-hydroxybenzoyl)amino]octanoic acid
PubChem CID10826528
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name8-[(3-hydroxybenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H21NO4/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19)
InChIKeyXDKFRPWIWLQBHG-UHFFFAOYSA-N
XLogP2.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(3-hydroxybenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(3-hydroxybenzoyl)amino]octanoic acid (CID 10826528) is 8-[(3-hydroxybenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(3-hydroxybenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(3-hydroxybenzoyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 8-[(3-hydroxybenzoyl)amino]octanoic acid?
The InChIKey is XDKFRPWIWLQBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19).
What are the key properties of 8-[(3-hydroxybenzoyl)amino]octanoic acid?
8-[(3-hydroxybenzoyl)amino]octanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-hydroxybenzoyl)amino]octanoic acid is sourced from PubChem (CID 10826528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).