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

C12H17NO5 — CID 14604184

IUPACmethyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOC(=O)C(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
InChIKeyRYMRSHPHOMEKTL-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.89
Rot. Bonds5

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

methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate (PubChem CID 14604184) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
PubChem CID14604184
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOC(=O)C(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
InChIKeyRYMRSHPHOMEKTL-UHFFFAOYSA-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

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Related Compounds

(2S)-2-amino-2-(2-hydroxy-4,6-dimethoxyphenyl)acetic acid
CID 66513076
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246663
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60796374
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
5-amino-5-(2,4,6-trimethoxyphenyl)pentanamide
CID 60860649
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate (CID 14604184) is methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate is COC(=O)C(N)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
The InChIKey is RYMRSHPHOMEKTL-UHFFFAOYSA-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.
What are the key properties of methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate?
methyl 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 2-amino-2-(2,4,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 14604184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).