4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid

C14H19NO4 — CID 60825345

IUPAC4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
SMILESCCOCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-19-10-13(16)15-12(8-9-14(17)18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGWWHRTUBJFBOBM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds8

About 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid

4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid (PubChem CID 60825345) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
PubChem CID60825345
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
SMILESCCOCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-2-19-10-13(16)15-12(8-9-14(17)18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyGWWHRTUBJFBOBM-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
CID 62589345
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61329225
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid (CID 60825345) is 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid is CCOCC(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid?
The InChIKey is GWWHRTUBJFBOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-10-13(16)15-12(8-9-14(17)18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid?
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 60825345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).