PDB CCD ID: | A3M |
Number of entries in BioLiP: | 2 |
Chemical formula: | C9 H18 N2 O |
InChI: | InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1 |
InChIKey: | IHBAVXVTGLANPI-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CC(C)C(C(=O)N1CCCC1)N | ACDLabs 10.04 | O=C(N1CCCC1)C(N)C(C)C | OpenEye OEToolkits 1.5.0 | CC(C)[C@@H](C(=O)N1CCCC1)N | CACTVS 3.341 | CC(C)[CH](N)C(=O)N1CCCC1 | CACTVS 3.341 | CC(C)[C@H](N)C(=O)N1CCCC1 |
|
Name: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE |
ChEMBL: | CHEMBL383705 |
DrugBank: | DB01884 |
ZINC: | ZINC000000007335 |