methyl 2-[(2-methylcyclopentyl)amino]benzoate

C14H19NO2 — CID 65046829

IUPACmethyl 2-[(2-methylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC1C
InChIInChI=1S/C14H19NO2/c1-10-6-5-9-12(10)15-13-8-4-3-7-11(13)14(16)17-2/h3-4,7-8,10,12,15H,5-6,9H2,1-2H3
InChIKeyZMQRKSCDOBVZHO-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-[(2-methylcyclopentyl)amino]benzoate

methyl 2-[(2-methylcyclopentyl)amino]benzoate (PubChem CID 65046829) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclopentyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclopentyl)amino]benzoate
PubChem CID65046829
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[(2-methylcyclopentyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC1CCCC1C
InChIInChI=1S/C14H19NO2/c1-10-6-5-9-12(10)15-13-8-4-3-7-11(13)14(16)17-2/h3-4,7-8,10,12,15H,5-6,9H2,1-2H3
InChIKeyZMQRKSCDOBVZHO-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
methyl 3-amino-2-[(2-methylcycloheptyl)amino]benzoate
CID 115935200
methyl 2-[(2-methylcyclohexyl)amino]-5-nitrobenzoate
CID 91678179
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
2-amino-3-[(2-methylcyclohexyl)amino]benzoic acid
CID 113332467

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclopentyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methylcyclopentyl)amino]benzoate (CID 65046829) is methyl 2-[(2-methylcyclopentyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methylcyclopentyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methylcyclopentyl)amino]benzoate is COC(=O)c1ccccc1NC1CCCC1C.
What is the InChIKey of methyl 2-[(2-methylcyclopentyl)amino]benzoate?
The InChIKey is ZMQRKSCDOBVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-5-9-12(10)15-13-8-4-3-7-11(13)14(16)17-2/h3-4,7-8,10,12,15H,5-6,9H2,1-2H3.
What are the key properties of methyl 2-[(2-methylcyclopentyl)amino]benzoate?
methyl 2-[(2-methylcyclopentyl)amino]benzoate has a molecular weight of 233.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclopentyl)amino]benzoate is sourced from PubChem (CID 65046829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).