Structure Database (LMSD)
Common Name
2-isopropyl-malic acid
Systematic Name
(2S)-2-isopropyl-2-hydroxy-butanedioic acid
Synonyms
3D model of 2-isopropyl-malic 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)
BITYXLXUCSKTJS-ZETCQYMHSA-N
InChi (Click to copy)
InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
SMILES (Click to copy)
C(=O)(O)[C@](C(C)C)(O)CC(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
168.33
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
0.22
Molar Refractivity
40.19
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Created at
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Updated at
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