azanium 8-[(2-hydroxybenzoyl)amino]octanoate

C15H24N2O4 — CID 171364107

IUPACazanium 8-[(2-hydroxybenzoyl)amino]octanoate
SMILESO=C([O-])CCCCCCCNC(=O)c1ccccc1O.[NH4+]
InChIInChI=1S/C15H21NO4.H3N/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);1H3
InChIKeyGWIATFJBJNPIEZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.59
Rot. Bonds9

About azanium 8-[(2-hydroxybenzoyl)amino]octanoate

azanium 8-[(2-hydroxybenzoyl)amino]octanoate (PubChem CID 171364107) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is azanium 8-[(2-hydroxybenzoyl)amino]octanoate.

Molecular Properties

Compound Nameazanium 8-[(2-hydroxybenzoyl)amino]octanoate
PubChem CID171364107
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameazanium 8-[(2-hydroxybenzoyl)amino]octanoate
SMILESO=C([O-])CCCCCCCNC(=O)c1ccccc1O.[NH4+]
InChIInChI=1S/C15H21NO4.H3N/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);1H3
InChIKeyGWIATFJBJNPIEZ-UHFFFAOYSA-N
XLogP1.59
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.59
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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Related Compounds

10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
sodium 8-[2-(2-hydroxybenzoyl)hydrazinyl]octanoate
CID 171775960
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-hydroxy-N-(11-nitroso-11-oxoundecyl)benzamide
CID 163501379
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
CID 173066251
2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
CID 175912578
disodium;10-(2-hydroxyphenyl)-10-oxodecanoate;12-(2-hydroxyphenyl)-12-oxododecanoate;sulfane
CID 158243902
benzyl(trimethyl)azanium;8-[(5-chloro-2-hydroxybenzoyl)amino]octanoate
CID 169085802
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175

Frequently Asked Questions

What is the IUPAC name of azanium 8-[(2-hydroxybenzoyl)amino]octanoate?
The IUPAC name of azanium 8-[(2-hydroxybenzoyl)amino]octanoate (CID 171364107) is azanium 8-[(2-hydroxybenzoyl)amino]octanoate.
What is the SMILES notation for azanium 8-[(2-hydroxybenzoyl)amino]octanoate?
The canonical SMILES for azanium 8-[(2-hydroxybenzoyl)amino]octanoate is O=C([O-])CCCCCCCNC(=O)c1ccccc1O.[NH4+].
What is the InChIKey of azanium 8-[(2-hydroxybenzoyl)amino]octanoate?
The InChIKey is GWIATFJBJNPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.H3N/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19;/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19);1H3.
What are the key properties of azanium 8-[(2-hydroxybenzoyl)amino]octanoate?
azanium 8-[(2-hydroxybenzoyl)amino]octanoate has a molecular weight of 296.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 8-[(2-hydroxybenzoyl)amino]octanoate is sourced from PubChem (CID 171364107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).