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

C13H17NO4 — CID 68548212

IUPAC3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
SMILESCCOc1ccccc1CC(=O)NCCC(=O)O
InChIInChI=1S/C13H17NO4/c1-2-18-11-6-4-3-5-10(11)9-12(15)14-8-7-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySMZGLUXTEXYWKP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.22
Rot. Bonds7

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

3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 68548212) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
PubChem CID68548212
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid
SMILESCCOc1ccccc1CC(=O)NCCC(=O)O
InChIInChI=1S/C13H17NO4/c1-2-18-11-6-4-3-5-10(11)9-12(15)14-8-7-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySMZGLUXTEXYWKP-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
3-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111881700
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid
CID 43091577
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid (CID 68548212) is 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid is CCOc1ccccc1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is SMZGLUXTEXYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-18-11-6-4-3-5-10(11)9-12(15)14-8-7-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid?
3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-ethoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 68548212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).