General Information of the Compound
| Compound ID |
CP0163249
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| Compound Name |
(2S,3S)-2-Amino-3-benzyloxy-succinic acid
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| Synonyms |
DL-TBOA
dl-threo-beta-benzyloxyaspartate
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| Structure |
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| Formula |
C11H13NO5
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| Molecular Weight |
239.227
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| Canonical SMILES |
N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
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| InChIKey |
BYOBCYXURWDEDS-IUCAKERBSA-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
Clinical Information about the Compound