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

C19H21NO5 — CID 3237068

IUPAC3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-16-10-8-14(9-11-16)17(12-19(22)23)20-18(21)13-25-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyHGYLESYFPTZSTL-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds9

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

3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 3237068) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
PubChem CID3237068
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-16-10-8-14(9-11-16)17(12-19(22)23)20-18(21)13-25-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyHGYLESYFPTZSTL-UHFFFAOYSA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid (CID 3237068) is 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is HGYLESYFPTZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-24-16-10-8-14(9-11-16)17(12-19(22)23)20-18(21)13-25-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid?
3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 3237068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).