2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate

C14H21NO4 — CID 18997172

IUPAC2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate
SMILESCCn1ccc(=O)c(O)c1CCOC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO4/c1-5-15-8-6-11(16)12(17)10(15)7-9-19-13(18)14(2,3)4/h6,8,17H,5,7,9H2,1-4H3
InChIKeyOVSDYEVJIIGDGP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.71
Rot. Bonds4

About 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate

2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate (PubChem CID 18997172) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate
PubChem CID18997172
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate
SMILESCCn1ccc(=O)c(O)c1CCOC(=O)C(C)(C)C
InChIInChI=1S/C14H21NO4/c1-5-15-8-6-11(16)12(17)10(15)7-9-19-13(18)14(2,3)4/h6,8,17H,5,7,9H2,1-4H3
InChIKeyOVSDYEVJIIGDGP-UHFFFAOYSA-N
XLogP1.71
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate (CID 18997172) is 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate is CCn1ccc(=O)c(O)c1CCOC(=O)C(C)(C)C.
What is the InChIKey of 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate?
The InChIKey is OVSDYEVJIIGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-15-8-6-11(16)12(17)10(15)7-9-19-13(18)14(2,3)4/h6,8,17H,5,7,9H2,1-4H3.
What are the key properties of 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate?
2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-hydroxy-4-oxo-2-pyridinyl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 18997172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).