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Name | Dcg-IV |
---|---|
Molecular formula | C7H9NO6 |
IUPAC name | (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid |
Molecular weight | 203.15 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | -4.3 |
Synonyms | (1r,2r)-3-[(S)-Amino(Carboxy)methyl]cyclopropane-1,2-Dicarboxylic Acid CS-0021174 SCHEMBL658075 1,2-Cyclopropanedicarboxylicacid,3-[(S)-aminocarboxymethyl]-,(1R,2R)- API0015797 [ Show all ] |
Inchi Key | MATPZHBYOVDBLI-JJYYJPOSSA-N |
Inchi ID | InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1 |
PubChem CID | 5310979 |
ChEMBL | CHEMBL284193 |
IUPHAR | 1377 |
BindingDB | 50034503 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417