Allyl cysteine
PubChem CID: 23437571
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | allyl cysteine, 5-allyl cystein, SCHEMBL747872 |
|---|---|
| Topological Polar Surface Area | 50.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(prop-2-enylamino)-3-sulfanylpropanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -1.9 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H11NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMPHKYRLSOPVBX-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.215 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.083 |
| Compound Name | Allyl cysteine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 161.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.6999987999999999 |
| Inchi | InChI=1S/C6H11NO2S/c1-2-3-7-5(4-10)6(8)9/h2,5,7,10H,1,3-4H2,(H,8,9) |
| Smiles | C=CCNC(CS)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cysteine and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients