methyl 3-[2-(methylamino)phenyl]propanoate

C11H15NO2 — CID 54226185

IUPACmethyl 3-[2-(methylamino)phenyl]propanoate
SMILESCNc1ccccc1CCC(=O)OC
InChIInChI=1S/C11H15NO2/c1-12-10-6-4-3-5-9(10)7-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyQGABYYDNNQNLDU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds4

About methyl 3-[2-(methylamino)phenyl]propanoate

methyl 3-[2-(methylamino)phenyl]propanoate (PubChem CID 54226185) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-[2-(methylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(methylamino)phenyl]propanoate
PubChem CID54226185
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-[2-(methylamino)phenyl]propanoate
SMILESCNc1ccccc1CCC(=O)OC
InChIInChI=1S/C11H15NO2/c1-12-10-6-4-3-5-9(10)7-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyQGABYYDNNQNLDU-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

methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
methyl 4-(2-propylanilino)butanoate
CID 54963180
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
methyl 3-[2-(dimethylcarbamoylsulfanyl)phenyl]propanoate
CID 54095020
methyl 3-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]propanoate
CID 171858798
methyl 3-[2-[[2-(hydroxymethyl)cyclohexen-1-yl]methyl]phenyl]propanoate
CID 139618322
methyl 3-[2-[[(2-chloroacetyl)amino]methyl]phenyl]propanoate
CID 166409208
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 6-(2-bromophenyl)-4-oxohexanoate
CID 63899687

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methylamino)phenyl]propanoate?
The IUPAC name of methyl 3-[2-(methylamino)phenyl]propanoate (CID 54226185) is methyl 3-[2-(methylamino)phenyl]propanoate.
What is the SMILES notation for methyl 3-[2-(methylamino)phenyl]propanoate?
The canonical SMILES for methyl 3-[2-(methylamino)phenyl]propanoate is CNc1ccccc1CCC(=O)OC.
What is the InChIKey of methyl 3-[2-(methylamino)phenyl]propanoate?
The InChIKey is QGABYYDNNQNLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10-6-4-3-5-9(10)7-8-11(13)14-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 3-[2-(methylamino)phenyl]propanoate?
methyl 3-[2-(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-[2-(methylamino)phenyl]propanoate is sourced from PubChem (CID 54226185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).