ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C9H15NO3 — CID 54684010

IUPACethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CCN(C)C1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h11H,3-6H2,1-2H3
InChIKeyXGCYCBYLTOCAQB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.70
Rot. Bonds2

About ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54684010) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54684010
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CCN(C)C1
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h11H,3-6H2,1-2H3
InChIKeyXGCYCBYLTOCAQB-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54684010) is ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)CCN(C)C1.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is XGCYCBYLTOCAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)7-6-10(2)5-4-8(7)11/h11H,3-6H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54684010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).