cyclopentyl 2-(methylamino)benzoate

C13H17NO2 — CID 61278607

IUPACcyclopentyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCCC1
InChIInChI=1S/C13H17NO2/c1-14-12-9-5-4-8-11(12)13(15)16-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyKZRXUOBWKYOJHU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.83
Rot. Bonds3

About cyclopentyl 2-(methylamino)benzoate

cyclopentyl 2-(methylamino)benzoate (PubChem CID 61278607) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclopentyl 2-(methylamino)benzoate.

Molecular Properties

Compound Namecyclopentyl 2-(methylamino)benzoate
PubChem CID61278607
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclopentyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCCC1
InChIInChI=1S/C13H17NO2/c1-14-12-9-5-4-8-11(12)13(15)16-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyKZRXUOBWKYOJHU-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclobutyl 2-(methylamino)benzoate
CID 62217404
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
CID 64731834
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-aminobenzoate
CID 24510
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
CID 172922980
phosphanyl 2-(methylamino)benzoate
CID 174258583
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(methylamino)benzoate?
The IUPAC name of cyclopentyl 2-(methylamino)benzoate (CID 61278607) is cyclopentyl 2-(methylamino)benzoate.
What is the SMILES notation for cyclopentyl 2-(methylamino)benzoate?
The canonical SMILES for cyclopentyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-(methylamino)benzoate?
The InChIKey is KZRXUOBWKYOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-12-9-5-4-8-11(12)13(15)16-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3.
What are the key properties of cyclopentyl 2-(methylamino)benzoate?
cyclopentyl 2-(methylamino)benzoate has a molecular weight of 219.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(methylamino)benzoate is sourced from PubChem (CID 61278607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).