3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid

C18H20N2O6 — CID 120531785

IUPAC3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)COc1ccc(Oc2ccccn2)cc1)C(=O)O
InChIInChI=1S/C18H20N2O6/c1-18(12-24-2,17(22)23)20-15(21)11-25-13-6-8-14(9-7-13)26-16-5-3-4-10-19-16/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJLJQSOFNFJJGCU-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.86
Rot. Bonds9

About 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid

3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 120531785) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
PubChem CID120531785
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)COc1ccc(Oc2ccccn2)cc1)C(=O)O
InChIInChI=1S/C18H20N2O6/c1-18(12-24-2,17(22)23)20-15(21)11-25-13-6-8-14(9-7-13)26-16-5-3-4-10-19-16/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJLJQSOFNFJJGCU-UHFFFAOYSA-N
XLogP1.86
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112817297
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
2-[5-(4-bromophenoxy)pentanoylamino]-3-methoxy-2-methylpropanoic acid
CID 120688623
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid (CID 120531785) is 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid is COCC(C)(NC(=O)COc1ccc(Oc2ccccn2)cc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is JLJQSOFNFJJGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-18(12-24-2,17(22)23)20-15(21)11-25-13-6-8-14(9-7-13)26-16-5-3-4-10-19-16/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid?
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 360.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 120531785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).