methyl 2-(cyclopropylamino)benzoate

C11H13NO2 — CID 83697867

IUPACmethyl 2-(cyclopropylamino)benzoate
SMILESCOC(=O)c1ccccc1NC1CC1
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-5-10(9)12-8-6-7-8/h2-5,8,12H,6-7H2,1H3
InChIKeyVEPYGUJPVJMLBB-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds3

About methyl 2-(cyclopropylamino)benzoate

methyl 2-(cyclopropylamino)benzoate (PubChem CID 83697867) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)benzoate
PubChem CID83697867
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-(cyclopropylamino)benzoate
SMILESCOC(=O)c1ccccc1NC1CC1
InChIInChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-5-10(9)12-8-6-7-8/h2-5,8,12H,6-7H2,1H3
InChIKeyVEPYGUJPVJMLBB-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
methyl 2-[(4,4-dimethylcycloheptyl)amino]benzoate
CID 65084413
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
2-(cyclopropylamino)benzamide
CID 119089293
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
methyl 2-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321992
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)benzoate?
The IUPAC name of methyl 2-(cyclopropylamino)benzoate (CID 83697867) is methyl 2-(cyclopropylamino)benzoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)benzoate?
The canonical SMILES for methyl 2-(cyclopropylamino)benzoate is COC(=O)c1ccccc1NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)benzoate?
The InChIKey is VEPYGUJPVJMLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)9-4-2-3-5-10(9)12-8-6-7-8/h2-5,8,12H,6-7H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)benzoate?
methyl 2-(cyclopropylamino)benzoate has a molecular weight of 191.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)benzoate is sourced from PubChem (CID 83697867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).