O-acetyl-L-homoserine
PubChem CID: 439389
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | O-acetyl-L-homoserine, O-acetylhomoserine, 7540-67-2, (2S)-4-(acetyloxy)-2-aminobutanoic acid, (2S)-4-acetyloxy-2-aminobutanoic acid, L-Homoserine Acetate Hydrochloride, SCHEMBL180571, CHEBI:16288, DTXSID30996846, FCXZBWSIAGGPCB-YFKPBYRVSA-N, (S)-4-Acetoxy-2-aminobutanoic acid, FA17124, CS-0261097, C01077, EN300-7708736, Q27101834, O-Acetyl-L-homoserine, (2S)-4-(Acetyloxy)-2-aminobutanoic acid, L-2-Amino-4-acetoxybutyric acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 89.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CC=O)OCC[C@@H]C=O)O))N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-4-acetyloxy-2-aminobutanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO4 |
| Inchi Key | FCXZBWSIAGGPCB-YFKPBYRVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | o-ac-(¡à)-2-amino-4-hydroxybutanoic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, COC(C)=O |
| Compound Name | O-acetyl-L-homoserine |
| Exact Mass | 161.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 161.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 |
| Smiles | CC(=O)OCC[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729