URQ
Summary
| Name: | (2S)-3-(carbamoylamino)-2-methylpropanoic acid |
| Formula: | C5 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.144 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-(carbamoylamino)-2-methylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-3-(aminocarbonylamino)-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(C(=O)O)C)N |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | PHENTZNALBMCQD-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CNC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CNC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CNC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CNC(=O)N)C(=O)O |
