l-Cysteine, S-butyl-
PubChem CID: 13817366
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| Compound Synonyms | l-Cysteine, S-butyl-, 4134-56-9, S-Butyl-D-cysteine, s-butyl-l-cysteine, S-Butylcysteine, H-Cys(butyl)-OH, QY5BX63TZ2, (2R)-2-amino-3-butylsulfanylpropanoic acid, (2R)-2-amino-3-(butylsulfanyl)propanoic acid, DTXSID30194300, ALANINE, 3-(BUTYLTHIO)-, L-, (2R)-2-Amino-3-butylsulfanyl-propanoic acid, (S)-Butyl-L-Cys, Butylcysteine #, UNII-QY5BX63TZ2, SCHEMBL1157599, DTXCID00116791, AKOS017343284, (R)-2-amino-3-(butylthio)propanoic acid, EN300-7028645 |
|---|---|
| Topological Polar Surface Area | 88.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-butylsulfanylpropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.5 |
| Molecular Formula | C7H15NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFGXHYXBEDRCNM-LURJTMIESA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -4.08 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.111 |
| Compound Name | l-Cysteine, S-butyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.082 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.082 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 177.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3767322000000001 |
| Inchi | InChI=1S/C7H15NO2S/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 |
| Smiles | CCCCSC[C@@H](C(=O)O)N |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients