methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate

C13H19NO4 — CID 90875555

IUPACmethyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate
SMILESCOCC(NCCC(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4/c1-17-9-12(14-8-7-13(16)18-2)10-3-5-11(15)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyYHMUBZUVTAHWQD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds7

About methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate

methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate (PubChem CID 90875555) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate
PubChem CID90875555
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate
SMILESCOCC(NCCC(=O)OC)c1ccc(O)cc1
InChIInChI=1S/C13H19NO4/c1-17-9-12(14-8-7-13(16)18-2)10-3-5-11(15)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyYHMUBZUVTAHWQD-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate (CID 90875555) is methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate is COCC(NCCC(=O)OC)c1ccc(O)cc1.
What is the InChIKey of methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate?
The InChIKey is YHMUBZUVTAHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-9-12(14-8-7-13(16)18-2)10-3-5-11(15)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate?
methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-hydroxyphenyl)-2-methoxyethyl]amino]propanoate is sourced from PubChem (CID 90875555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).