octan-2-yl 2-amino-5-hydroxybenzoate

C15H23NO3 — CID 63540765

IUPACoctan-2-yl 2-amino-5-hydroxybenzoate
SMILESCCCCCCC(C)OC(=O)c1cc(O)ccc1N
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-11(2)19-15(18)13-10-12(17)8-9-14(13)16/h8-11,17H,3-7,16H2,1-2H3
InChIKeyWZMLLVYHEBOIIE-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.49
Rot. Bonds7

About octan-2-yl 2-amino-5-hydroxybenzoate

octan-2-yl 2-amino-5-hydroxybenzoate (PubChem CID 63540765) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is octan-2-yl 2-amino-5-hydroxybenzoate.

Molecular Properties

Compound Nameoctan-2-yl 2-amino-5-hydroxybenzoate
PubChem CID63540765
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameoctan-2-yl 2-amino-5-hydroxybenzoate
SMILESCCCCCCC(C)OC(=O)c1cc(O)ccc1N
InChIInChI=1S/C15H23NO3/c1-3-4-5-6-7-11(2)19-15(18)13-10-12(17)8-9-14(13)16/h8-11,17H,3-7,16H2,1-2H3
InChIKeyWZMLLVYHEBOIIE-UHFFFAOYSA-N
XLogP3.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octan-2-yl 2-amino-4-nitrobenzoate
CID 63540460
[(2R)-octan-2-yl] 6-hydroxynaphthalene-2-carboxylate
CID 14438423
[(2S,6R)-6-acetyloxyundecan-2-yl] 2,4-dihydroxybenzoate
CID 102008990
didecan-2-yl benzene-1,4-dicarboxylate
CID 91724696
6-hexoxyhexan-2-yl 4-hydroxybenzoate
CID 160563411
bis[(2R)-nonan-2-yl] benzene-1,3-dicarboxylate
CID 100928523
octan-2-yl 3-amino-4-(dimethylamino)benzoate
CID 63446975
4-O-decan-2-yl 1-O-ethyl benzene-1,4-dicarboxylate
CID 91727080
octan-2-yl naphthalene-1-carboxylate
CID 152706157
[(2S)-octan-2-yl] 4-[4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 7154596
[(2S)-octan-2-yl] 4-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]benzoate
CID 102491977
heptan-2-yl 5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 22880317

Frequently Asked Questions

What is the IUPAC name of octan-2-yl 2-amino-5-hydroxybenzoate?
The IUPAC name of octan-2-yl 2-amino-5-hydroxybenzoate (CID 63540765) is octan-2-yl 2-amino-5-hydroxybenzoate.
What is the SMILES notation for octan-2-yl 2-amino-5-hydroxybenzoate?
The canonical SMILES for octan-2-yl 2-amino-5-hydroxybenzoate is CCCCCCC(C)OC(=O)c1cc(O)ccc1N.
What is the InChIKey of octan-2-yl 2-amino-5-hydroxybenzoate?
The InChIKey is WZMLLVYHEBOIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-5-6-7-11(2)19-15(18)13-10-12(17)8-9-14(13)16/h8-11,17H,3-7,16H2,1-2H3.
What are the key properties of octan-2-yl 2-amino-5-hydroxybenzoate?
octan-2-yl 2-amino-5-hydroxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl 2-amino-5-hydroxybenzoate is sourced from PubChem (CID 63540765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).