Structure Database (LMSD)
Common Name
beta-penteic acid
Systematic Name
3-pentenoic acid
Synonyms
- beta-pentenoic acid
- C5:1n-2
3D model of beta-penteic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
Filter by species:
ⓘ
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
UIUWNILCHFBLEQ-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
SMILES (Click to copy)
C/C=C/CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
107.36
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.04
Molar Refractivity
27.07
Admin
Created at
-
Updated at
25th Apr 2022