Structure Database (LMSD)
Common Name
3-amino-isobutanoic acid
Systematic Name
3-amino-3-methyl-propionic acid
Synonyms
3D model of 3-amino-isobutanoic 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
String Representations
InChiKey (Click to copy)
QCHPKSFMDHPSNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
SMILES (Click to copy)
C(=O)(O)C(C)CN
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
103.70
Topological Polar Surface Area
63.32
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
-0.05
Molar Refractivity
26.34
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Created at
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Updated at
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