2WW
Summary
| Name: | [(1S)-1-amino-3-methylbutyl]phosphonic acid |
| Formula: | C5 H14 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 167.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1S)-1-amino-3-methylbutyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(1S)-1-azanyl-3-methyl-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | HGCAUCAWEADMPM-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](N)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(N)P(=O)(O)O |
