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

C20H23NO6 — CID 3938884

IUPAC3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-3-26-15-10-8-14(9-11-15)16(12-20(23)24)21-19(22)13-27-18-7-5-4-6-17(18)25-2/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZFULXTAMGYPNRP-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.80
Rot. Bonds10

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

3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 3938884) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID3938884
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-3-26-15-10-8-14(9-11-15)16(12-20(23)24)21-19(22)13-27-18-7-5-4-6-17(18)25-2/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyZFULXTAMGYPNRP-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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Related Compounds

3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 7045109
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid (CID 3938884) is 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is CCOc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2OC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is ZFULXTAMGYPNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-26-15-10-8-14(9-11-15)16(12-20(23)24)21-19(22)13-27-18-7-5-4-6-17(18)25-2/h4-11,16H,3,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid?
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]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-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 3938884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).