A1JF4
Summary
| Name: | 3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propanoic acid |
| Formula: | C9 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.201 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10N4O2/c14-7(15)2-4-11-9-6-1-3-10-8(6)12-5-13-9/h1,3,5H,2,4H2,(H,14,15)(H2,10,11,12,13) |
| InChIKey | InChI | 1.06 | IQQWNWCLPPDQEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCNc1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCNc1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)NCCC(=O)O |
