(2S,3S)-2-Amino-4-hydroxy-3-methylbutanoic acid
PubChem CID: 11804803
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| Compound Synonyms | (2S,3S)-2-Amino-4-hydroxy-3-methylbutanoic acid, 74431-60-0 |
|---|---|
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-2-amino-4-hydroxy-3-methylbutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.5 |
| Molecular Formula | C5H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YMRZLZUJZNHRLO-DMTCNVIQSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.158 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.105 |
| Compound Name | (2S,3S)-2-Amino-4-hydroxy-3-methylbutanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 133.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7248886000000003 |
| Inchi | InChI=1S/C5H11NO3/c1-3(2-7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1 |
| Smiles | C[C@H](CO)[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Koelreuteria Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rheum Hotaoense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Solanum Arundo (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Teucrium Pilosum (Plant) Rel Props:Source_db:cmaup_ingredients