Chemical Name - (1S,4S)-tert-butyl2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Mol Weight - 198.265
Smiles - CC(C)(C)OC(N1[C@@H](C2)CN[C@@H]2C1)=O
Mol Weight - 198.265
Smiles - CC(C)(C)OC(N1[C@@H](C2)CN[C@@H]2C1)=O
| Property Value | |
| Mol Name | (1S,4S)-tert-butyl2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| Molweight | 198.265 |
| Monoisotopic Mass | 198.136828 |
| Clogp | 1.1102 |
| Clogs | -1.694 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 149.48 |
| Relative Psa | 0.25455 |
| Polar Surface Area | 41.57 |
| Druglikeness | -31.166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.45273 |
| Molecular Complexity | 0.66621 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3 Atoms | 11 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)(C)OC(N1[C@@H](C2)CN[C@@H]2C1)=O |
| InChIKey | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1 |
| InChI | UXAWXZDXVOYLII-YUMQZZPRSA-N |
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