cyclohexyl 2-aminobenzoate

C13H17NO2 — CID 24510

IUPACcyclohexyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
InChIKeyKFEZETDKFSMLMG-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.76
Rot. Bonds2

About cyclohexyl 2-aminobenzoate

cyclohexyl 2-aminobenzoate (PubChem CID 24510) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclohexyl 2-aminobenzoate.

Molecular Properties

Compound Namecyclohexyl 2-aminobenzoate
PubChem CID24510
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclohexyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
InChIKeyKFEZETDKFSMLMG-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
(4-methylcyclohexyl) 2-aminobenzoate
CID 543969
cycloheptyl 2-amino-5-iodobenzoate
CID 63541722
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclobutyl 2-amino-3-bromobenzoate
CID 63113137
cyclohexyl 2-formyloxybenzoate
CID 54103583

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-aminobenzoate?
The IUPAC name of cyclohexyl 2-aminobenzoate (CID 24510) is cyclohexyl 2-aminobenzoate.
What is the SMILES notation for cyclohexyl 2-aminobenzoate?
The canonical SMILES for cyclohexyl 2-aminobenzoate is Nc1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-aminobenzoate?
The InChIKey is KFEZETDKFSMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2.
What are the key properties of cyclohexyl 2-aminobenzoate?
cyclohexyl 2-aminobenzoate has a molecular weight of 219.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-aminobenzoate is sourced from PubChem (CID 24510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).