U29
Summary
| Name: | methyl (5S)-1-acetyl-5-methyl-L-prolinate |
| Formula: | C9 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 185.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (5S)-1-acetyl-5-methyl-L-prolinate |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},5~{S})-1-ethanoyl-5-methyl-pyrrolidine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCC(C(=O)OC)N1C(=O)C |
| InChI | InChI | 1.06 | InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1 |
| InChIKey | InChI | 1.06 | OZKGZCZMUGXZPD-XPUUQOCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1CC[C@H](C)N1C(C)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1CC[CH](C)N1C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC[C@H](N1C(=O)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(N1C(=O)C)C(=O)OC |
