cyclopentyl 2-aminobenzoate;hydrochloride

C12H16ClNO2 — CID 138987389

IUPACcyclopentyl 2-aminobenzoate;hydrochloride
SMILESCl.Nc1ccccc1C(=O)OC1CCCC1
InChIInChI=1S/C12H15NO2.ClH/c13-11-8-4-3-7-10(11)12(14)15-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,13H2;1H
InChIKeyMVIGRSLZRBASAO-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.79
Rot. Bonds2

About cyclopentyl 2-aminobenzoate;hydrochloride

cyclopentyl 2-aminobenzoate;hydrochloride (PubChem CID 138987389) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is cyclopentyl 2-aminobenzoate;hydrochloride.

Molecular Properties

Compound Namecyclopentyl 2-aminobenzoate;hydrochloride
PubChem CID138987389
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namecyclopentyl 2-aminobenzoate;hydrochloride
SMILESCl.Nc1ccccc1C(=O)OC1CCCC1
InChIInChI=1S/C12H15NO2.ClH/c13-11-8-4-3-7-10(11)12(14)15-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,13H2;1H
InChIKeyMVIGRSLZRBASAO-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.79
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

cyclohexyl 2-aminobenzoate
CID 24510
(4-methylcyclohexyl) 2-aminobenzoate
CID 543969
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
cyclobutyl 2-amino-3-bromobenzoate
CID 63113137
cycloheptyl 2-amino-5-iodobenzoate
CID 63541722
cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
cyclohexyl 2-(methylamino)benzoate
CID 61278808

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-aminobenzoate;hydrochloride?
The IUPAC name of cyclopentyl 2-aminobenzoate;hydrochloride (CID 138987389) is cyclopentyl 2-aminobenzoate;hydrochloride.
What is the SMILES notation for cyclopentyl 2-aminobenzoate;hydrochloride?
The canonical SMILES for cyclopentyl 2-aminobenzoate;hydrochloride is Cl.Nc1ccccc1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-aminobenzoate;hydrochloride?
The InChIKey is MVIGRSLZRBASAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c13-11-8-4-3-7-10(11)12(14)15-9-5-1-2-6-9;/h3-4,7-9H,1-2,5-6,13H2;1H.
What are the key properties of cyclopentyl 2-aminobenzoate;hydrochloride?
cyclopentyl 2-aminobenzoate;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-aminobenzoate;hydrochloride is sourced from PubChem (CID 138987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).