Structure Database (LMSD)
Common Name
5-Acetamidovalerate
Systematic Name
5-acetamidopentanoic acid
Synonyms
3D model of 5-Acetamidovalerate
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
String Representations
InChiKey (Click to copy)
TZZSWAXSIGWXOS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
SMILES (Click to copy)
CC(NCCCCC(=O)O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
161.75
Topological Polar Surface Area
66.40
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.66
Molar Refractivity
40.66
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Created at
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Updated at
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