2-(2-amino-5-methoxyphenyl)octanoic acid

C15H23NO3 — CID 106987315

IUPAC2-(2-amino-5-methoxyphenyl)octanoic acid
SMILESCCCCCCC(C(=O)O)c1cc(OC)ccc1N
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-12(15(17)18)13-10-11(19-2)8-9-14(13)16/h8-10,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyWDBYKQGZTZHLDP-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.42
Rot. Bonds8

About 2-(2-amino-5-methoxyphenyl)octanoic acid

2-(2-amino-5-methoxyphenyl)octanoic acid (PubChem CID 106987315) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)octanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)octanoic acid
PubChem CID106987315
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-amino-5-methoxyphenyl)octanoic acid
SMILESCCCCCCC(C(=O)O)c1cc(OC)ccc1N
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-12(15(17)18)13-10-11(19-2)8-9-14(13)16/h8-10,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyWDBYKQGZTZHLDP-UHFFFAOYSA-N
XLogP3.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.42
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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Related Compounds

2-(2-amino-5-nitrosophenyl)hexanoic acid
CID 90120332
2-[2-amino-5-(trifluoromethyl)phenyl]hexanoic acid
CID 106987905
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
2-[2-(1-carboxy-5-methylhexyl)-4-hexoxyphenyl]-6-methylheptanoic acid
CID 150751939
2-[2-(1-carboxy-4-methylpentyl)-4-methoxyphenyl]-5-methylhexanoic acid
CID 151741693
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
2-(2-amino-3-bromophenyl)decanoic acid
CID 106987429
2-(2,4,5-trichlorophenyl)tridecanoic acid
CID 70563348

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)octanoic acid?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)octanoic acid (CID 106987315) is 2-(2-amino-5-methoxyphenyl)octanoic acid.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)octanoic acid?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)octanoic acid is CCCCCCC(C(=O)O)c1cc(OC)ccc1N.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)octanoic acid?
The InChIKey is WDBYKQGZTZHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-5-6-7-12(15(17)18)13-10-11(19-2)8-9-14(13)16/h8-10,12H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-amino-5-methoxyphenyl)octanoic acid?
2-(2-amino-5-methoxyphenyl)octanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)octanoic acid is sourced from PubChem (CID 106987315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).