BG4
Summary
Name: | 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID |
Formula: | C7 H14 N2 O3 |
Formal charge: | 0 |
Formula weight: | 174.198 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline |
OpenEye OEToolkits | 1.5.0 | (2R,3R,5R)-5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1NC(N(O)C)CC1C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1C[C@H](N[C@H]1C(O)=O)N(C)O |
SMILES | CACTVS | 3.341 | C[CH]1C[CH](N[CH]1C(O)=O)N(C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CC(NC1C(=O)O)N(C)O |
InChI | InChI | 1.03 | InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1 |
InChIKey | InChI | 1.03 | PGYJBAGGGAUHGV-HSUXUTPPSA-N |