2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid

C15H21NO3 — CID 114341710

IUPAC2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(N)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H21NO3/c1-15(2)7-5-10(6-8-15)19-11-3-4-13(16)12(9-11)14(17)18/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyVSROAUQBVAITJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.31
Rot. Bonds3

About 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid

2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid (PubChem CID 114341710) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
PubChem CID114341710
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(N)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H21NO3/c1-15(2)7-5-10(6-8-15)19-11-3-4-13(16)12(9-11)14(17)18/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyVSROAUQBVAITJJ-UHFFFAOYSA-N
XLogP3.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine
CID 106748575
4-(4,4-dimethylcyclohexyl)oxy-2-nitrobenzoic acid
CID 114340766
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
methyl 2-amino-5-(1-methylpiperidin-4-yl)oxybenzoate
CID 61307094
2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
1-[5-(4,4-dimethylcyclohexyl)oxy-2-nitrophenyl]ethanone
CID 114341232
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
1-[2-amino-5-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanone
CID 104613255
2-amino-5-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 61307766
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid (CID 114341710) is 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid is CC1(C)CCC(Oc2ccc(N)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The InChIKey is VSROAUQBVAITJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)7-5-10(6-8-15)19-11-3-4-13(16)12(9-11)14(17)18/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid?
2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 114341710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).