3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid

C15H21NO4 — CID 119191395

IUPAC3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)COCCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-16(10-8-15(18)19)14(17)12-20-11-9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19)
InChIKeyVYLJSWVIWWSAKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds9

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

3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid (PubChem CID 119191395) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
PubChem CID119191395
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)COCCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-16(10-8-15(18)19)14(17)12-20-11-9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19)
InChIKeyVYLJSWVIWWSAKM-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
3-[[2-(2-tert-butylphenoxy)acetyl]-ethylamino]propanoic acid
CID 119191723
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid (CID 119191395) is 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)COCCc1ccccc1.
What is the InChIKey of 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
The InChIKey is VYLJSWVIWWSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-16(10-8-15(18)19)14(17)12-20-11-9-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid?
3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-phenylethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119191395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).