methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate

C15H21NO4 — CID 61031441

IUPACmethyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(2)15(11)20-10-13(17)16(3)9-8-14(18)19-4/h5-7H,8-10H2,1-4H3
InChIKeyGXLFWQHIBDZIID-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds6

About methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate

methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate (PubChem CID 61031441) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate
PubChem CID61031441
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(2)15(11)20-10-13(17)16(3)9-8-14(18)19-4/h5-7H,8-10H2,1-4H3
InChIKeyGXLFWQHIBDZIID-UHFFFAOYSA-N
XLogP1.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
methyl 4-[methyl-[2-(2-methylphenyl)acetyl]amino]butanoate
CID 54943470
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
methyl 4-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]butanoate
CID 60714425
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
3-[(2,6-dimethylphenoxy)carbonyl-methylamino]propanoic acid
CID 116819740
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate (CID 61031441) is methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)COc1c(C)cccc1C.
What is the InChIKey of methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate?
The InChIKey is GXLFWQHIBDZIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-5-7-12(2)15(11)20-10-13(17)16(3)9-8-14(18)19-4/h5-7H,8-10H2,1-4H3.
What are the key properties of methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate?
methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate is sourced from PubChem (CID 61031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).