Structure Database (LMSD)
Common Name
4-amino-4-cyano-butanoic acid
Systematic Name
4-amino-4-cyano-butanoic acid
Synonyms
- 4-Amino-4-cyanobutanoic acid
3D model of 4-amino-4-cyano-butanoic 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)
DXWQLTOXWVWMOH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-2,7H2,(H,8,9)
SMILES (Click to copy)
OC(=O)CCC(N)C#N
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
126.72
Topological Polar Surface Area
87.11
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
-0.01
Molar Refractivity
30.97
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Created at
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Updated at
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