EKD
Summary
| Name: | (cyclohexylamino)(oxo)acetic acid |
| 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 | (cyclohexylamino)(oxo)acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(cyclohexylamino)-2-oxidanylidene-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(NC1CCCCC1)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | JXKXKOUBASQQOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)NC1CCCCC1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)NC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)NC(=O)C(=O)O |
