2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid

C20H23NO5 — CID 119234019

IUPAC2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCOc1ccccc1OCC(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-2-25-17-10-6-7-11-18(17)26-14-19(22)21-13-16(20(23)24)12-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyJZOWFQDMLBQACD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.52
Rot. Bonds10

About 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid

2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 119234019) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID119234019
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid
SMILESCCOc1ccccc1OCC(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO5/c1-2-25-17-10-6-7-11-18(17)26-14-19(22)21-13-16(20(23)24)12-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyJZOWFQDMLBQACD-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

Analyze 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
2-(2-ethylphenoxy)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102472
2-benzyl-3-[(3-ethyl-4-methylpentanoyl)amino]propanoic acid
CID 119233521
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid (CID 119234019) is 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid is CCOc1ccccc1OCC(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is JZOWFQDMLBQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-25-17-10-6-7-11-18(17)26-14-19(22)21-13-16(20(23)24)12-15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid?
2-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]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-benzyl-3-[[2-(2-ethoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119234019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).