8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid

C15H20INO4 — CID 10644963

IUPAC8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H20INO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20)
InChIKeyPGPTYXPNOQRZBZ-UHFFFAOYSA-N
MW405.23 g/mol
LogP3.15
Rot. Bonds9

About 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid

8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid (PubChem CID 10644963) has the molecular formula C15H20INO4 and a molecular weight of 405.23 g/mol. Its IUPAC name is 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid
PubChem CID10644963
Molecular FormulaC15H20INO4
Molecular Weight405.23 g/mol
Exact Mass405.04
IUPAC Name8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C15H20INO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20)
InChIKeyPGPTYXPNOQRZBZ-UHFFFAOYSA-N
XLogP3.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.23
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid?
The IUPAC name of 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid (CID 10644963) is 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid.
What is the SMILES notation for 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid?
The canonical SMILES for 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid is O=C(O)CCCCCCCNC(=O)c1cc(I)ccc1O.
What is the InChIKey of 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid?
The InChIKey is PGPTYXPNOQRZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO4/c16-11-7-8-13(18)12(10-11)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10,18H,1-6,9H2,(H,17,21)(H,19,20).
What are the key properties of 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid?
8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid has a molecular weight of 405.23 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-hydroxy-5-iodobenzoyl)amino]octanoic acid is sourced from PubChem (CID 10644963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).