5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid

C14H16N2O3 — CID 117096013

IUPAC5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid
SMILESN#CC1CCCCC1Oc1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c15-8-9-3-1-2-4-12(9)19-13-6-5-10(16)7-11(13)14(17)18/h5-7,9,12H,1-4,16H2,(H,17,18)
InChIKeyBPUHZZPLWRXOGZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.43
Rot. Bonds3

About 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid

5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid (PubChem CID 117096013) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid
PubChem CID117096013
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid
SMILESN#CC1CCCCC1Oc1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c15-8-9-3-1-2-4-12(9)19-13-6-5-10(16)7-11(13)14(17)18/h5-7,9,12H,1-4,16H2,(H,17,18)
InChIKeyBPUHZZPLWRXOGZ-UHFFFAOYSA-N
XLogP2.43
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanocycloheptyl)oxybenzamide
CID 43292463
2-(2-cyanocyclohexyl)oxy-3-methoxybenzoic acid
CID 117054033
5-amino-2-(3-hydroxycyclohexyl)oxybenzoic acid
CID 117096010
2-(2-aminophenoxy)cyclohexane-1-carbonitrile
CID 117095468
5-amino-2-(4-oxocyclohexyl)oxybenzoic acid
CID 117096019
5-amino-2-(thietan-3-yloxy)benzoic acid
CID 84689823
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
CID 43292647
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-amino-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzoic acid
CID 117096026
5-amino-2-cyclohexyloxybenzamide
CID 55125066
2-(2-hydroxycycloheptyl)oxy-5-iodobenzoic acid
CID 82995256

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid?
The IUPAC name of 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid (CID 117096013) is 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid.
What is the SMILES notation for 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid?
The canonical SMILES for 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid is N#CC1CCCCC1Oc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid?
The InChIKey is BPUHZZPLWRXOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-8-9-3-1-2-4-12(9)19-13-6-5-10(16)7-11(13)14(17)18/h5-7,9,12H,1-4,16H2,(H,17,18).
What are the key properties of 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid?
5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid is sourced from PubChem (CID 117096013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).