methyl 3-[1-(methylamino)cyclopropyl]benzoate

C12H15NO2 — CID 155255680

IUPACmethyl 3-[1-(methylamino)cyclopropyl]benzoate
SMILESCNC1(c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C12H15NO2/c1-13-12(6-7-12)10-5-3-4-9(8-10)11(14)15-2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyBBMQJUAMTAAUAG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-[1-(methylamino)cyclopropyl]benzoate

methyl 3-[1-(methylamino)cyclopropyl]benzoate (PubChem CID 155255680) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-[1-(methylamino)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(methylamino)cyclopropyl]benzoate
PubChem CID155255680
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-[1-(methylamino)cyclopropyl]benzoate
SMILESCNC1(c2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C12H15NO2/c1-13-12(6-7-12)10-5-3-4-9(8-10)11(14)15-2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyBBMQJUAMTAAUAG-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(methylamino)cyclopropyl]benzoate?
The IUPAC name of methyl 3-[1-(methylamino)cyclopropyl]benzoate (CID 155255680) is methyl 3-[1-(methylamino)cyclopropyl]benzoate.
What is the SMILES notation for methyl 3-[1-(methylamino)cyclopropyl]benzoate?
The canonical SMILES for methyl 3-[1-(methylamino)cyclopropyl]benzoate is CNC1(c2cccc(C(=O)OC)c2)CC1.
What is the InChIKey of methyl 3-[1-(methylamino)cyclopropyl]benzoate?
The InChIKey is BBMQJUAMTAAUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-12(6-7-12)10-5-3-4-9(8-10)11(14)15-2/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of methyl 3-[1-(methylamino)cyclopropyl]benzoate?
methyl 3-[1-(methylamino)cyclopropyl]benzoate has a molecular weight of 205.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(methylamino)cyclopropyl]benzoate is sourced from PubChem (CID 155255680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).