A1CHA
Summary
| Name: | 3-(aminomethyl)-L-phenylalanine |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-(aminomethyl)-L-phenylalanine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-3-[3-(aminomethyl)phenyl]-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCc1cccc(CC(N)C(=O)O)c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | YBVDQQQEPCEKPR-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(C[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(C[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)CN)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)CN)CC(C(=O)O)N |
