ethyl 2-(cyclopropylamino)benzoate

C12H15NO2 — CID 103438878

IUPACethyl 2-(cyclopropylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC1CC1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h3-6,9,13H,2,7-8H2,1H3
InChIKeyGYEAVCOBEYBKDY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-(cyclopropylamino)benzoate

ethyl 2-(cyclopropylamino)benzoate (PubChem CID 103438878) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)benzoate
PubChem CID103438878
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(cyclopropylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC1CC1
InChIInChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h3-6,9,13H,2,7-8H2,1H3
InChIKeyGYEAVCOBEYBKDY-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561022
ethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzoate
CID 43322154
methyl 2-(cyclopropylamino)benzoate
CID 83697867
ethyl 2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43774654
ethyl 2-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112854860
ethyl 2-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112907534
ethyl 2-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64760987
ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
CID 64761186
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
ethyl 2-[[2-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112882454
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)benzoate?
The IUPAC name of ethyl 2-(cyclopropylamino)benzoate (CID 103438878) is ethyl 2-(cyclopropylamino)benzoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)benzoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)benzoate is CCOC(=O)c1ccccc1NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)benzoate?
The InChIKey is GYEAVCOBEYBKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-15-12(14)10-5-3-4-6-11(10)13-9-7-8-9/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)benzoate?
ethyl 2-(cyclopropylamino)benzoate has a molecular weight of 205.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)benzoate is sourced from PubChem (CID 103438878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).