Structure Database (LMSD)
Common Name
Iminoaspartic acid
Systematic Name
2-imino-butanedioic acid
Synonyms
3D model of Iminoaspartic 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)
NMUOATVLLQEYHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)
SMILES (Click to copy)
C(=O)(O)C(=N)CC(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
116.00
Topological Polar Surface Area
98.45
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
-0.43
Molar Refractivity
27.62
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Created at
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Updated at
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