3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid

C20H23NO6 — CID 3380102

IUPAC3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-3-26-17-10-9-14(11-18(17)25-2)16(12-20(23)24)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWYZXESRVSVKNAW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.80
Rot. Bonds10

About 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid

3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 3380102) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
PubChem CID3380102
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-3-26-17-10-9-14(11-18(17)25-2)16(12-20(23)24)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWYZXESRVSVKNAW-UHFFFAOYSA-N
XLogP2.80
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (CID 3380102) is 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is WYZXESRVSVKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-26-17-10-9-14(11-18(17)25-2)16(12-20(23)24)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 3380102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).