methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate

C15H21NO2 — CID 79864939

IUPACmethyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC1(C)C
InChIInChI=1S/C15H21NO2/c1-15(2)10-6-9-13(15)16-12-8-5-4-7-11(12)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyIQCUKBTVCJHOQI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.46
Rot. Bonds3

About methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate

methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate (PubChem CID 79864939) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
PubChem CID79864939
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC1(C)C
InChIInChI=1S/C15H21NO2/c1-15(2)10-6-9-13(15)16-12-8-5-4-7-11(12)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyIQCUKBTVCJHOQI-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]-N,N-dimethylbenzamide
CID 79860587
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
methyl 3-[(2,2-dimethylcyclopentyl)amino]-4-fluorobenzoate
CID 79860460
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79916587
N-(2,2-dimethylcyclopentyl)-2-methylsulfanylaniline
CID 79859896
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate?
The IUPAC name of methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate (CID 79864939) is methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate is COC(=O)c1ccccc1NC1CCCC1(C)C.
What is the InChIKey of methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate?
The InChIKey is IQCUKBTVCJHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)10-6-9-13(15)16-12-8-5-4-7-11(12)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3.
What are the key properties of methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate?
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate has a molecular weight of 247.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate is sourced from PubChem (CID 79864939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).