2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid

C14H19NO4 — CID 119359065

IUPAC2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
SMILESCCOC(C(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-19-12(11-8-6-5-7-9-11)13(16)15(3)10(2)14(17)18/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyVLFANBKTQDFHAH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid

2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid (PubChem CID 119359065) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
PubChem CID119359065
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
SMILESCCOC(C(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-19-12(11-8-6-5-7-9-11)13(16)15(3)10(2)14(17)18/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKeyVLFANBKTQDFHAH-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[methyl(2-phenylsulfanylbutanoyl)amino]propanoic acid
CID 119359152
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
CID 116751795
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid (CID 119359065) is 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid is CCOC(C(=O)N(C)C(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid?
The InChIKey is VLFANBKTQDFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-12(11-8-6-5-7-9-11)13(16)15(3)10(2)14(17)18/h5-10,12H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid?
2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 119359065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).