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

C21H25NO5 — CID 119232164

IUPAC2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)Cc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C21H25NO5/c1-3-27-18-10-8-15(9-11-18)12-17(21(24)25)14-22-20(23)13-16-6-4-5-7-19(16)26-2/h4-11,17H,3,12-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRFQOGTRVNKEGLP-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.70
Rot. Bonds10

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

2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 119232164) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
PubChem CID119232164
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)Cc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C21H25NO5/c1-3-27-18-10-8-15(9-11-18)12-17(21(24)25)14-22-20(23)13-16-6-4-5-7-19(16)26-2/h4-11,17H,3,12-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRFQOGTRVNKEGLP-UHFFFAOYSA-N
XLogP2.70
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
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-[(4-ethoxyphenyl)methyl]-3-[(2-quinolin-8-ylacetyl)amino]propanoic acid
CID 120524947
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-benzyl-3-[3-(2,5-dimethoxyphenyl)propanoylamino]propanoic acid
CID 119233953
2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119234019
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 119232158
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (CID 119232164) is 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid is CCOc1ccc(CC(CNC(=O)Cc2ccccc2OC)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is RFQOGTRVNKEGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-27-18-10-8-15(9-11-18)12-17(21(24)25)14-22-20(23)13-16-6-4-5-7-19(16)26-2/h4-11,17H,3,12-14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 371.43 g/mol, XLogP of 2.70, 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-(2-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119232164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).