methyl 3-[3-(methylamino)phenyl]propanoate

C11H15NO2 — CID 119082922

IUPACmethyl 3-[3-(methylamino)phenyl]propanoate
SMILESCNc1cccc(CCC(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-12-10-5-3-4-9(8-10)6-7-11(13)14-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNCGHKWBGMTZBDX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds4

About methyl 3-[3-(methylamino)phenyl]propanoate

methyl 3-[3-(methylamino)phenyl]propanoate (PubChem CID 119082922) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-[3-(methylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methylamino)phenyl]propanoate
PubChem CID119082922
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-[3-(methylamino)phenyl]propanoate
SMILESCNc1cccc(CCC(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-12-10-5-3-4-9(8-10)6-7-11(13)14-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNCGHKWBGMTZBDX-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (E)-2-[3-(3-methoxy-3-oxopropyl)anilino]but-2-enedioate
CID 168566777
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
acetylene;methoxymethane;methyl 3-phenylpropanoate
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methyl 3-[3-(methylamino)phenyl]-3-oxopropanoate
CID 54055806
3-(methoxymethyl)-N-methylaniline
CID 23080905
tert-butyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 168915326
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
benzyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 155731050
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 6-[3-(methylamino)phenyl]hex-5-ynoate
CID 66954602
methyl 3-[3-[4-(trifluoromethyl)phenyl]phenyl]propanoate
CID 91113479

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methylamino)phenyl]propanoate?
The IUPAC name of methyl 3-[3-(methylamino)phenyl]propanoate (CID 119082922) is methyl 3-[3-(methylamino)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(methylamino)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-(methylamino)phenyl]propanoate is CNc1cccc(CCC(=O)OC)c1.
What is the InChIKey of methyl 3-[3-(methylamino)phenyl]propanoate?
The InChIKey is NCGHKWBGMTZBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10-5-3-4-9(8-10)6-7-11(13)14-2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of methyl 3-[3-(methylamino)phenyl]propanoate?
methyl 3-[3-(methylamino)phenyl]propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methylamino)phenyl]propanoate is sourced from PubChem (CID 119082922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).