3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid

C10H11NO5 — CID 54026335

IUPAC3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid
SMILESCCOC(=O)C(Oc1ccncc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-15-10(14)8(9(12)13)16-7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,12,13)
InChIKeyLCLKBGCCXQQXBD-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.48
Rot. Bonds5

About 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid

3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid (PubChem CID 54026335) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid.

Molecular Properties

Compound Name3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid
PubChem CID54026335
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid
SMILESCCOC(=O)C(Oc1ccncc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-15-10(14)8(9(12)13)16-7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,12,13)
InChIKeyLCLKBGCCXQQXBD-UHFFFAOYSA-N
XLogP0.48
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2R)-3-oxo-2-[4-(trifluoromethyl)phenoxy]butanoate
CID 98081765
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
3-phenoxy-2-pyridin-4-yloxypropanoic acid
CID 54521232
ethyl 3-oxo-2-[4-(pyridin-3-ylmethyl)phenoxy]butanoate
CID 70479044
ethyl 2-(3,4-dichlorophenoxy)-3-oxobutanoate
CID 18402082
ethyl 2-fluoro-3-oxo-3-pyridin-4-ylpropanoate
CID 10330780
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
diethyl 2-(pyridin-4-ylmethyl)butanedioate
CID 14982424
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl carbonochloridate;pyridine-4-carboxylic acid
CID 174781214

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid?
The IUPAC name of 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid (CID 54026335) is 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid.
What is the SMILES notation for 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid?
The canonical SMILES for 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid is CCOC(=O)C(Oc1ccncc1)C(=O)O.
What is the InChIKey of 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid?
The InChIKey is LCLKBGCCXQQXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-15-10(14)8(9(12)13)16-7-3-5-11-6-4-7/h3-6,8H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid?
3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid is sourced from PubChem (CID 54026335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).