2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid

C14H19NO4 — CID 13073467

IUPAC2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
SMILESCOCC(=O)N(c1c(C)cccc1C)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyZRIKZVLHMGYCIR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.76
Rot. Bonds5

About 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid

2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid (PubChem CID 13073467) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
PubChem CID13073467
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
SMILESCOCC(=O)N(c1c(C)cccc1C)C(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)
InChIKeyZRIKZVLHMGYCIR-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid?
The IUPAC name of 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid (CID 13073467) is 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid.
What is the SMILES notation for 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid?
The canonical SMILES for 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid is COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)O.
What is the InChIKey of 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid?
The InChIKey is ZRIKZVLHMGYCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid?
2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid is sourced from PubChem (CID 13073467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).