cyclohexyl 3-amino-5-methoxybenzoate

C14H19NO3 — CID 81092610

IUPACcyclohexyl 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-8-10(7-11(15)9-13)14(16)18-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyBZKFJEBYAPIVSE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.77
Rot. Bonds3

About cyclohexyl 3-amino-5-methoxybenzoate

cyclohexyl 3-amino-5-methoxybenzoate (PubChem CID 81092610) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is cyclohexyl 3-amino-5-methoxybenzoate.

Molecular Properties

Compound Namecyclohexyl 3-amino-5-methoxybenzoate
PubChem CID81092610
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecyclohexyl 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OC2CCCCC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-8-10(7-11(15)9-13)14(16)18-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3
InChIKeyBZKFJEBYAPIVSE-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclohexyl 3-amino-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylcyclohexyl) 3-amino-5-methoxybenzoate
CID 81091233
(4-methylcyclohexyl) 3,5-diaminobenzoate
CID 61309628
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
CID 87001615
dicyclododecyl 5-hydroxybenzene-1,3-dicarboxylate
CID 22679066
dicyclohexyl 5-ethylbenzene-1,3-dicarboxylate
CID 23514853
cyclopentyl 3,5-diamino-4-tert-butylbenzoate
CID 20514746
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747
cyclohexyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310617
cycloheptyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310474
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-amino-5-methoxybenzoate?
The IUPAC name of cyclohexyl 3-amino-5-methoxybenzoate (CID 81092610) is cyclohexyl 3-amino-5-methoxybenzoate.
What is the SMILES notation for cyclohexyl 3-amino-5-methoxybenzoate?
The canonical SMILES for cyclohexyl 3-amino-5-methoxybenzoate is COc1cc(N)cc(C(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl 3-amino-5-methoxybenzoate?
The InChIKey is BZKFJEBYAPIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-8-10(7-11(15)9-13)14(16)18-12-5-3-2-4-6-12/h7-9,12H,2-6,15H2,1H3.
What are the key properties of cyclohexyl 3-amino-5-methoxybenzoate?
cyclohexyl 3-amino-5-methoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-amino-5-methoxybenzoate is sourced from PubChem (CID 81092610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).