General Information of the Compound
| Compound ID |
CP0496235
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| Compound Name |
(S)-2-Amino-4-isopropylidene-pentanedioic acid
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| Structure |
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| Formula |
C8H13NO4
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| Molecular Weight |
187.195
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| Canonical SMILES |
CC(C)=C(C[C@H](N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C8H13NO4/c1-4(2)5(7(10)11)3-6(9)8(12)13/h6H,3,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
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| InChIKey |
JPBUUVHZKJNOQZ-LURJTMIESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound