LPG
Summary
| Name: | (2S)-2-aminobut-3-ynoic acid |
| Synonyms: | 2-AMINO-BUT-3-YNOIC ACID 2-amino-3-butynoic acid |
| Formula: | C4 H5 N O2 |
| Formal charge: | 0 |
| Formula weight: | 99.088 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-aminobut-3-ynoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanylbut-3-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C#CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | DSUAJFIEKRKPEE-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C#C)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C#C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CC(C(=O)O)N |
