2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid

C14H19NO4 — CID 80554890

IUPAC2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCCOCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-4-19-9-12(16)15-11-7-5-10(6-8-11)14(2,3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJEUZROKFVUCWAU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 80554890) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID80554890
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
SMILESCCOCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-4-19-9-12(16)15-11-7-5-10(6-8-11)14(2,3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJEUZROKFVUCWAU-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
4-[(2-ethoxyacetyl)amino]-N-ethylbenzamide
CID 60793697
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80554758
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
2-[4-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 119254104
4-[(2-ethoxyacetyl)amino]-N-prop-2-enylbenzamide
CID 61062671

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid (CID 80554890) is 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid is CCOCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is JEUZROKFVUCWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-9-12(16)15-11-7-5-10(6-8-11)14(2,3)13(17)18/h5-8H,4,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 80554890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).