methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate

C15H16N2O4 — CID 82899166

IUPACmethyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2ccccc2=O)c(N)c1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)11-5-6-13(12(16)10-11)21-9-8-17-7-3-2-4-14(17)18/h2-7,10H,8-9,16H2,1H3
InChIKeyLCMJXVVWSBJJNH-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.30
Rot. Bonds5

About methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate

methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate (PubChem CID 82899166) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
PubChem CID82899166
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2ccccc2=O)c(N)c1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)11-5-6-13(12(16)10-11)21-9-8-17-7-3-2-4-14(17)18/h2-7,10H,8-9,16H2,1H3
InChIKeyLCMJXVVWSBJJNH-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
methyl 3-amino-4-[2-(1-methylimidazol-2-yl)ethoxy]benzoate
CID 114528693
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
methyl 4-amino-3-[2-(2-methylimidazol-1-yl)ethoxy]benzoate
CID 61493916
methyl 3-amino-4-[2-(3-methylbutoxy)ethoxy]benzoate
CID 61484298
methyl 3-amino-4-(4,4,4-trifluorobutoxy)benzoate
CID 113326564
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate?
The IUPAC name of methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate (CID 82899166) is methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate.
What is the SMILES notation for methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate?
The canonical SMILES for methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate is COC(=O)c1ccc(OCCn2ccccc2=O)c(N)c1.
What is the InChIKey of methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate?
The InChIKey is LCMJXVVWSBJJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-15(19)11-5-6-13(12(16)10-11)21-9-8-17-7-3-2-4-14(17)18/h2-7,10H,8-9,16H2,1H3.
What are the key properties of methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate?
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate has a molecular weight of 288.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate is sourced from PubChem (CID 82899166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).