2-Amino-3-(methyldisulfanyl)propanoic acid
PubChem CID: 3353975
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| Compound Synonyms | SCHEMBL4322237 |
|---|---|
| Topological Polar Surface Area | 114.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 98.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(methyldisulfanyl)propanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -2.7 |
| Is Pains | False |
| Molecular Formula | C4H9NO2S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PYFNLWPQPNXHCS-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2-Amino-3-(methyldisulfanyl)propanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.007 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 167.007 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 167.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0754190000000001 |
| Inchi | InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| Smiles | CSSCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients