(2s,4r)-4-Hydroxy-4-methyl-glutamic acid
PubChem CID: 11073946
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| Compound Synonyms | (2s,4r)-4-hydroxy-4-methyl-glutamic acid |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4S)-4-amino-2-hydroxy-2-methylpentanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.9 |
| Molecular Formula | C6H11NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONTAOGAXMOTXQW-BBIVZNJYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.724 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.807 |
| Compound Name | (2s,4r)-4-Hydroxy-4-methyl-glutamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 177.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7637328 |
| Inchi | InChI=1S/C6H11NO5/c1-6(12,5(10)11)2-3(7)4(8)9/h3,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1 |
| Smiles | C[C@@](C[C@@H](C(=O)O)N)(C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all