S-Ethyl-L-cysteine
PubChem CID: 92185
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| Compound Synonyms | S-Ethyl-L-cysteine, 2629-59-6, L-Cysteine, S-ethyl-, S-Ethylcysteine, Cysteine, S-ethyl-, 3-(Ethylthio)alanine, (2R)-2-amino-3-(ethylsulfanyl)propanoic acid, s-ethyl cysteine, (R)-2-Amino-3-(ethylthio)propanoic acid, EINECS 220-106-2, NSC 49244, B46YS921BY, 2139-90-4, 3-ethylthio-L-alanine, 22196-52-7, DTXSID9020588, CHEBI:156209, (2R)-2-amino-3-ethylsulfanylpropanoic acid, (2R)-2-azanyl-3-ethylsulfanyl-propanoic acid, DTXSID40859751, UNII-B46YS921BY, CHEMBL60475, DTXCID50588, SCHEMBL340835, L-Cysteine, S-ethyl-(9CI), DTXCID30209049, MFCD00020387, AKOS016037521, DB-321460, NS00028077, (2R)-2-amino-3-ethylsulfanyl-propanoic acid, G85793, EN300-1168621, Q23779747, 220-106-2, 654-520-3, ECX |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-ethylsulfanylpropanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Is Pains | False |
| Molecular Formula | C5H11NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULXKXLZEOGLCRJ-BYPYZUCNSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 4.0 |
| Compound Name | S-Ethyl-L-cysteine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.051 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 149.051 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 149.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9793670000000001 |
| Inchi | InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 |
| Smiles | CCSC[C@@H](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