3-(3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-propionic acid ethyl ester

HCID 58636719
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCc1c(CO)cnc(C)c1O
InChIKey
NSDZAVYTKUSLDB-UHFFFAOYSA-N
Molecular formula
C12H17NO4
Average molar mass
239.27 g/mol

Names & identifiers

Preferred name
3-(3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-propionic acid ethyl ester
IUPAC
ethyl 3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanoate

Names & synonyms

SCHEMBL3443255NSDZAVYTKUSLDB-UHFFFAOYSA-N3-(3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-yl)-propionic acid ethyl ester

Database identifiers

PubChem CID
58636719

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
79.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

Loading…