S-Propylcysteine
PubChem CID: 125198
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| Compound Synonyms | S-Propylcysteine, 65309-79-7, 2-amino-3-(propylthio)propanoic acid, 2-AMINO-3-(PROPYLSULFANYL)PROPANOIC ACID, Propylcysteine #, 2-Amino-3-(propylthio)propionic acid, DL-Cysteine, S-propyl-, b-methyl-S-ethyl cysteine, SCHEMBL1157636, CHEBI:176473, WAAGBMYUYFBZIW-UHFFFAOYSA-N, MFCD09936714, 2-amino-3-propylsulanylpropanoic acid, AKOS000176316, AKOS026728163, EN300-58150, 2-AMINO-3-(PROPYLSULFANYL)PROPANOICACID, G68850, AB01007412-01 |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Description | Occurs as g-glutamyl peptide in garlic. S-Propyl-L-cysteine is found in onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-propylsulfanylpropanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -1.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H13NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | WAAGBMYUYFBZIW-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.6 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.735 |
| Synonyms | L-cysteine, s-propyl-, S-propyl-l-cysteine, S-propylcysteine, S-Propylcysteine, 2-Amino-3-(propylsulfanyl)propanoate, 2-Amino-3-(propylsulphanyl)propanoate, 2-Amino-3-(propylsulphanyl)propanoic acid, S-Propylcysteine, (L-cys)-isomer |
| Compound Name | S-Propylcysteine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.067 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 163.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.6244996 |
| Inchi | InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) |
| Smiles | CCCSCC(C(=O)O)N |
| 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