methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate

C14H21NO3 — CID 116955429

IUPACmethyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO3/c1-9-6-10(2)14(18-5)11(7-9)12(15-3)8-13(16)17-4/h6-7,12,15H,8H2,1-5H3
InChIKeyXSKDPEOHXWLSHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds5

About methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate

methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate (PubChem CID 116955429) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
PubChem CID116955429
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO3/c1-9-6-10(2)14(18-5)11(7-9)12(15-3)8-13(16)17-4/h6-7,12,15H,8H2,1-5H3
InChIKeyXSKDPEOHXWLSHZ-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
CID 116955433
4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
CID 116955312
methyl 4-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 116940201
(E)-4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956327
methyl 3-(methylamino)-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
CID 82348920
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
methyl 5-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)-5-oxopentanoate
CID 82349209
4-amino-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutanoic acid
CID 116938182
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate (CID 116955429) is methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate is CNC(CC(=O)OC)c1cc(C)cc(C)c1OC.
What is the InChIKey of methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate?
The InChIKey is XSKDPEOHXWLSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-10(2)14(18-5)11(7-9)12(15-3)8-13(16)17-4/h6-7,12,15H,8H2,1-5H3.
What are the key properties of methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate?
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 116955429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).