IKT
Summary
| Name: | 3-(1-AMINOETHYL)NONANEDIOIC ACID |
| Formula: | C11 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 231.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-[(1S)-1-aminoethyl]nonanedioic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-[(1S)-1-aminoethyl]nonanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCC(C(N)C)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)[C@@H](CCCCCC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(CCCCCC(=O)O)CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | NHQUUILSXUJSSP-IUCAKERBSA-N |
