W1N
Summary
| Name: | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid |
| Formula: | C10 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-(2-fluorophenyl)butanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-4-(2-fluorophenyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccccc1CC(N)CC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | CTZJKXPNBFSWAK-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CC(O)=O)Cc1ccccc1F |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)Cc1ccccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C[C@@H](CC(=O)O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(CC(=O)O)N)F |
