O4Y
Summary
| Name: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid |
| Formula: | C11 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 218.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(4-oxidanylidenequinazolin-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C(O)=O)N2C=Nc1c(cccc1)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | AOIOGRLXASIYJK-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1C=Nc2ccccc2C1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N1C=Nc2ccccc2C1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)N1C=Nc2ccccc2C1=O |
