(2-Amino-3-methylbutanoyl) 2-amino-3-methylbutanoate
PubChem CID: 5315167
Connections displayed (default: 10).
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| Topological Polar Surface Area | 95.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-amino-3-methylbutanoyl) 2-amino-3-methylbutanoate |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H20N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MCHDHQQFGQWMRG-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.867 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.386 |
| Compound Name | (2-Amino-3-methylbutanoyl) 2-amino-3-methylbutanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 216.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2952421999999997 |
| Inchi | InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)15-10(14)8(12)6(3)4/h5-8H,11-12H2,1-4H3 |
| Smiles | CC(C)C(C(=O)OC(=O)C(C(C)C)N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients