CL5
Summary
Name: | N-(3-OXOPROPYL)GLYCINE |
Synonyms: | FRAGMENT OF CLAVULANIC ACID |
Formula: | C5 H9 N O3 |
Formal charge: | 0 |
Formula weight: | 131.13 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-(3-oxopropyl)glycine |
OpenEye OEToolkits | 1.5.0 | 2-(3-oxopropylamino)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CCCNCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CNCCC=O |
SMILES | CACTVS | 3.341 | OC(=O)CNCCC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNCC(=O)O)C=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CNCC(=O)O)C=O |
InChI | InChI | 1.03 | InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9) |
InChIKey | InChI | 1.03 | KCNYJRBIWGISEE-UHFFFAOYSA-N |