A3M
Summary
| Name: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE |
| Formula: | C9 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 170.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-amine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N1CCCC1)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](N)C(=O)N1CCCC1 |
| SMILES | CACTVS | 3.341 | CC(C)[CH](N)C(=O)N1CCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)N1CCCC1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)N1CCCC1)N |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | IHBAVXVTGLANPI-QMMMGPOBSA-N |
