![3-[(2-Amino-9H-purin-6-yl)amino]propanoic acid](/api/spectrum/5ZziZt7yBGc/structure.png?h=300&w=458 "3-[(2-Amino-9H-purin-6-yl)amino]propanoic acid")
| SpectraBase Compound ID | jKHj4lC7G7 |
|---|---|
| InChI | InChI=1S/C8H10N6O2/c9-8-13-6(10-2-1-4(15)16)5-7(14-8)12-3-11-5/h3H,1-2H2,(H,15,16)(H4,9,10,11,12,13,14) |
| InChIKey | SMNUIRULLQNCJA-UHFFFAOYSA-N |
| Mol Weight | 222.21 g/mol |
| Molecular Formula | C8H10N6O2 |
| Exact Mass | 222.086524 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZziZt7yBGc |
|---|---|
| Name | 3-[(2-Amino-9H-purin-6-yl)amino]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.086523584 u |
| Formula | C8H10N6O2 |
| InChI | InChI=1S/C8H10N6O2/c9-8-13-6(10-2-1-4(15)16)5-7(14-8)12-3-11-5/h3H,1-2H2,(H,15,16)(H4,9,10,11,12,13,14) |
| InChIKey | SMNUIRULLQNCJA-UHFFFAOYSA-N |
| SMILES | C12=C(C(=NC(=N2)N)NCCC(O)=O)N=CN1 |