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

C13H19NO3 — CID 116856970

IUPACmethyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
SMILESCOC(=O)C(N)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-7-6-10(16-4)8(2)9(3)11(7)12(14)13(15)17-5/h6,12H,14H2,1-5H3
InChIKeyTVTOWDJUIILWJR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.79
Rot. Bonds3

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

methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate (PubChem CID 116856970) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
PubChem CID116856970
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
SMILESCOC(=O)C(N)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-7-6-10(16-4)8(2)9(3)11(7)12(14)13(15)17-5/h6,12H,14H2,1-5H3
InChIKeyTVTOWDJUIILWJR-UHFFFAOYSA-N
XLogP1.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
CID 171232982
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
CID 116939106
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
2-amino-2-(2-methoxy-4,5-dimethylphenyl)-N'-methylacetohydrazide
CID 116849362
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate (CID 116856970) is methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate is COC(=O)C(N)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate?
The InChIKey is TVTOWDJUIILWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7-6-10(16-4)8(2)9(3)11(7)12(14)13(15)17-5/h6,12H,14H2,1-5H3.
What are the key properties of methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate?
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate is sourced from PubChem (CID 116856970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).