Summary
Name: | 1-HYDROXYAMINE-2-ISOBUTYLMALONIC ACID |
Formula: | C7 H13 N O4 |
Formal charge: | 0 |
Formula weight: | 175.182 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R)-2-(hydroxycarbamoyl)-4-methylpentanoic acid |
OpenEye OEToolkits | 1.5.0 | (2R)-2-(hydroxycarbamoyl)-4-methyl-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NO)C(C(=O)O)CC(C)C |
InChI | InChI | 1.02b | InChI=1/C7H13NO4/c1-4(2)3-5(7(10)11)6(9)8-12/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1/f/h8,10H |
InChIKey | InChI | 1.02b | CINIOMOBGSHXRK-QZDMVKEYDK |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@@H](C(O)=O)C(=O)NO |
SMILES | CACTVS | 3.341 | CC(C)C[CH](C(O)=O)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](C(=O)NO)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)NO)C(=O)O |