methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate

C12H17NO5 — CID 14604185

IUPACmethyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-15-7-5-8(16-2)10(9(6-7)17-3)11(13)12(14)18-4/h5-6,11H,13H2,1-4H3/t11-/m1/s1
InChIKeyRYMRSHPHOMEKTL-LLVKDONJSA-N
MW255.27 g/mol
LogP0.89
Rot. Bonds5

About methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate

methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate (PubChem CID 14604185) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate
PubChem CID14604185
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C12H17NO5/c1-15-7-5-8(16-2)10(9(6-7)17-3)11(13)12(14)18-4/h5-6,11H,13H2,1-4H3/t11-/m1/s1
InChIKeyRYMRSHPHOMEKTL-LLVKDONJSA-N
XLogP0.89
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate (CID 14604185) is methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate is COC(=O)[C@H](N)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The InChIKey is RYMRSHPHOMEKTL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO5/c1-15-7-5-8(16-2)10(9(6-7)17-3)11(13)12(14)18-4/h5-6,11H,13H2,1-4H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate has a molecular weight of 255.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(2,4,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 14604185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).