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

C20H23NO5 — CID 119232217

IUPAC2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)COc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H23NO5/c1-2-25-18-10-8-15(9-11-18)12-16(20(23)24)13-21-19(22)14-26-17-6-4-3-5-7-17/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyYYPSEGXXDHUZHE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.52
Rot. Bonds10

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

2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 119232217) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
PubChem CID119232217
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)COc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H23NO5/c1-2-25-18-10-8-15(9-11-18)12-16(20(23)24)13-21-19(22)14-26-17-6-4-3-5-7-17/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyYYPSEGXXDHUZHE-UHFFFAOYSA-N
XLogP2.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
2-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119231915
2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119234019
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
2-[[[2-(2,6-difluorophenyl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 120524919
2-[(4-ethoxyphenyl)methyl]-3-(2-methylbutanoylamino)propanoic acid
CID 119231907
2-[(4-ethoxyphenyl)methyl]-3-[(2-indol-1-ylacetyl)amino]propanoic acid
CID 119232177
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
2-[(4-ethoxyphenyl)methyl]-3-[(2-quinolin-8-ylacetyl)amino]propanoic acid
CID 120524947
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid (CID 119232217) is 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid is CCOc1ccc(CC(CNC(=O)COc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is YYPSEGXXDHUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-25-18-10-8-15(9-11-18)12-16(20(23)24)13-21-19(22)14-26-17-6-4-3-5-7-17/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid?
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 119232217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).