methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

C14H21NO5 — CID 43344264

IUPACmethyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-10-7-12(18-2)11(13(8-10)19-3)9-15-6-5-14(16)20-4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyAUZMTCZUUVZFOC-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.37
Rot. Bonds8

About methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (PubChem CID 43344264) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
PubChem CID43344264
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-17-10-7-12(18-2)11(13(8-10)19-3)9-15-6-5-14(16)20-4/h7-8,15H,5-6,9H2,1-4H3
InChIKeyAUZMTCZUUVZFOC-UHFFFAOYSA-N
XLogP1.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
3-[(2-bromo-4,6-dimethoxyphenyl)methylamino]propanoic acid
CID 120913155
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
methyl 3-(3,5-dimethoxyanilino)propanoate
CID 12903398

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (CID 43344264) is methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is COC(=O)CCNCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The InChIKey is AUZMTCZUUVZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-10-7-12(18-2)11(13(8-10)19-3)9-15-6-5-14(16)20-4/h7-8,15H,5-6,9H2,1-4H3.
What are the key properties of methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate has a molecular weight of 283.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 43344264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).