ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride

C11H16ClNO4 — CID 23178726

IUPACethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride
SMILESCCOC(=O)CCn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-3-16-10(14)5-7-12-6-4-9(13)11(15)8(12)2;/h4,6,15H,3,5,7H2,1-2H3;1H
InChIKeyYZTAHPUGRBGVHK-UHFFFAOYSA-N
MW261.70 g/mol
LogP1.24
Rot. Bonds4

About ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride

ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride (PubChem CID 23178726) has the molecular formula C11H16ClNO4 and a molecular weight of 261.70 g/mol. Its IUPAC name is ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride
PubChem CID23178726
Molecular FormulaC11H16ClNO4
Molecular Weight261.70 g/mol
Exact Mass261.08
IUPAC Nameethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride
SMILESCCOC(=O)CCn1ccc(=O)c(O)c1C.Cl
InChIInChI=1S/C11H15NO4.ClH/c1-3-16-10(14)5-7-12-6-4-9(13)11(15)8(12)2;/h4,6,15H,3,5,7H2,1-2H3;1H
InChIKeyYZTAHPUGRBGVHK-UHFFFAOYSA-N
XLogP1.24
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride (CID 23178726) is ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride is CCOC(=O)CCn1ccc(=O)c(O)c1C.Cl.
What is the InChIKey of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride?
The InChIKey is YZTAHPUGRBGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4.ClH/c1-3-16-10(14)5-7-12-6-4-9(13)11(15)8(12)2;/h4,6,15H,3,5,7H2,1-2H3;1H.
What are the key properties of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride?
ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride has a molecular weight of 261.70 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate;hydrochloride is sourced from PubChem (CID 23178726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).