TBB
Summary
Name: | tert-butylcarbamic acid |
Formula: | C5 H11 N O2 |
Formal charge: | 0 |
Formula weight: | 117.146 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | tert-butylcarbamic acid |
OpenEye OEToolkits | 1.7.6 | tert-butylcarbamic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)NC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C5H11NO2/c1-5(2,3)6-4(7)8/h6H,1-3H3,(H,7,8) |
InChIKey | InChI | 1.03 | XBXCNNQPRYLIDE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)NC(O)=O |
SMILES | CACTVS | 3.370 | CC(C)(C)NC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NC(=O)O |