OWA
Summary
Name: | methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate |
Formula: | C8 H13 N O3 |
Formal charge: | 0 |
Formula weight: | 171.194 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate |
OpenEye OEToolkits | 2.0.7 | methyl 2-[(3~{R})-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]ethanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(N(C)CC(CC(OC)=O)C1)=O |
InChI | InChI | 1.03 | InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1 |
InChIKey | InChI | 1.03 | CYBLSPQZUAXOJS-ZCFIWIBFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@@H]1CN(C)C(=O)C1 |
SMILES | CACTVS | 3.385 | COC(=O)C[CH]1CN(C)C(=O)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@H](CC1=O)CC(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(CC1=O)CC(=O)OC |