L-Aminobutyric Acid-d3
PubChem CID: 11966099
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| Compound Synonyms | L-Aminobutyric Acid-d3, 929202-07-3, (2S)-2-amino-4,4,4-trideuteriobutanoic acid, H-Abu-OH-d3, DTXSID90474892, L-2-Amino-4,4,4-d3-butyric acid, DTXCID70425706, HY-W010589S, AKOS025295928, (2S)-2-amino(4,4,4-?H?)butanoic acid, CS-0380152 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 72.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4,4,4-trideuteriobutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -2.5 |
| Molecular Formula | C4H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWCKQJZIFLGMSD-SRQSVDBESA-N |
| Fcsp3 | 0.75 |
| Logs | -1.15 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.131 |
| Compound Name | L-Aminobutyric Acid-d3 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.082 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.082 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 106.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2938363069291998 |
| Inchi | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3 |
| Smiles | [2H]C([2H])([2H])C[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients