[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate

C17H18N2O4 — CID 95626109

IUPAC[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)COc1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O4/c1-13(14-6-5-9-18-10-14)23-17(21)11-19-16(20)12-22-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyILBINLBDIQTPHG-CYBMUJFWSA-N
MW314.34 g/mol
LogP1.88
Rot. Bonds7

About [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate

[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 95626109) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID95626109
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)COc1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O4/c1-13(14-6-5-9-18-10-14)23-17(21)11-19-16(20)12-22-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyILBINLBDIQTPHG-CYBMUJFWSA-N
XLogP1.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42969147
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55405256
2-[(2-phenoxyacetyl)amino]-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987173
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
3-methylbutan-2-yl 2-(pyridine-3-carbonylamino)acetate
CID 171414103

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 95626109) is [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)COc1ccccc1)c1cccnc1.
What is the InChIKey of [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is ILBINLBDIQTPHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-13(14-6-5-9-18-10-14)23-17(21)11-19-16(20)12-22-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 314.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-pyridin-3-ylethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 95626109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).