methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate

C14H21NO5 — CID 60780797

IUPACmethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-9(14(16)20-5)15-8-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9,15H,8H2,1-5H3
InChIKeyJETNMWBVEWCUSV-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.36
Rot. Bonds7

About methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate

methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate (PubChem CID 60780797) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
PubChem CID60780797
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-9(14(16)20-5)15-8-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9,15H,8H2,1-5H3
InChIKeyJETNMWBVEWCUSV-UHFFFAOYSA-N
XLogP1.36
TPSA66.02 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 134162229
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
CID 62816210
methyl 3-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
methyl (2S)-2-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propanoate
CID 43786720
methyl (2S)-2-[(3-cyano-4-methoxyphenyl)methylamino]propanoate
CID 65341138
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate (CID 60780797) is methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate is COC(=O)C(C)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate?
The InChIKey is JETNMWBVEWCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9(14(16)20-5)15-8-10-6-11(17-2)13(19-4)12(7-10)18-3/h6-7,9,15H,8H2,1-5H3.
What are the key properties of methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate?
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate has a molecular weight of 283.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 60780797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).