methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate

C14H21NO5 — CID 66096615

IUPACmethyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate
SMILESCOC(=O)CC(CN)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-10-6-11(18-2)14(12(7-10)19-3)9(8-15)5-13(16)20-4/h6-7,9H,5,8,15H2,1-4H3
InChIKeyGHVMJGBWHYREHJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.32
Rot. Bonds7

About methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate

methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate (PubChem CID 66096615) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate
PubChem CID66096615
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate
SMILESCOC(=O)CC(CN)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-10-6-11(18-2)14(12(7-10)19-3)9(8-15)5-13(16)20-4/h6-7,9H,5,8,15H2,1-4H3
InChIKeyGHVMJGBWHYREHJ-UHFFFAOYSA-N
XLogP1.32
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-3-amino-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246661
methyl (3R)-3-amino-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248754
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl (3R)-3-amino-3-(2,6-dimethoxy-4-methylphenyl)propanoate;hydrochloride
CID 171251668
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate?
The IUPAC name of methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate (CID 66096615) is methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate.
What is the SMILES notation for methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate?
The canonical SMILES for methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate is COC(=O)CC(CN)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate?
The InChIKey is GHVMJGBWHYREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-10-6-11(18-2)14(12(7-10)19-3)9(8-15)5-13(16)20-4/h6-7,9H,5,8,15H2,1-4H3.
What are the key properties of methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate?
methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate has a molecular weight of 283.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2,4,6-trimethoxyphenyl)butanoate is sourced from PubChem (CID 66096615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).