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

C11H15NO4 — CID 10513376

IUPACethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H15NO4/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
InChIKeySIPVUGNHQRPDCV-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.82
Rot. Bonds4

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

ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate (PubChem CID 10513376) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
PubChem CID10513376
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H15NO4/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
InChIKeySIPVUGNHQRPDCV-UHFFFAOYSA-N
XLogP0.82
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CP 41
CID 93513
1-(2'-Carboxyethyl)-3-hydroxy-2-methyl-4-pyridinone
CID 404684
2-Ethyl-3-hydroxy-1-(2-pivaloyloxyethyl)pyridin-4-one
CID 9838237
3-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)propanoic acid
CID 10013375
1-(3-Ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
CID 10036053
4-Pyridone,3-hydroxy-2-ethyl-1-(3-hydroxy)propyl
CID 10058531
Methyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
CID 10822380
4(1H)-Pyridinone, N-(3-ethoxypropyl)-2-ethyl-3-h
CID 14956307
2-[(2-Methyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
CID 10036602
2-[(1-Ethyl-2-methyl-4-oxo-3-pyridinyl)oxy]acetic acid
CID 10242245
3-[(1,2-Diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
CID 10243320
2-[(2-Ethyl-4-oxo-1-propyl-3-pyridinyl)oxy]acetic acid
CID 10263637

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate (CID 10513376) is ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate is CCOC(=O)CCn1ccc(=O)c(O)c1C.
What is the InChIKey of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
The InChIKey is SIPVUGNHQRPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/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.
What are the key properties of ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate?
ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.82, 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 is sourced from PubChem (CID 10513376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).