methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate

C14H21NO3 — CID 116857056

IUPACmethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-7-9(2)11(13(17-5)10(8)3)12(15-4)14(16)18-6/h7,12,15H,1-6H3
InChIKeyOARAXGUYHHMEMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate

methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate (PubChem CID 116857056) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
PubChem CID116857056
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-8-7-9(2)11(13(17-5)10(8)3)12(15-4)14(16)18-6/h7,12,15H,1-6H3
InChIKeyOARAXGUYHHMEMG-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116957436
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
1-[amino-(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943159
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate (CID 116857056) is methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate is CNC(C(=O)OC)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate?
The InChIKey is OARAXGUYHHMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-7-9(2)11(13(17-5)10(8)3)12(15-4)14(16)18-6/h7,12,15H,1-6H3.
What are the key properties of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate?
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate is sourced from PubChem (CID 116857056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).