4-Acetyloxy-2-aminobutanoic acid
PubChem CID: 528
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| Compound Synonyms | 4-acetyloxy-2-aminobutanoic acid, 4-Acetoxy-2-aminobutanoic acid, Homoserine acetate, O-acetyl-dl-homoserine, SCHEMBL302495, CHEBI:7671, HAA54067, 4-(acetyloxy)-2-aminobutanoic acid, Q27107556 |
|---|---|
| Topological Polar Surface Area | 89.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Description | Found in green tissues of pea (Pisum sativum) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-acetyloxy-2-aminobutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCXZBWSIAGGPCB-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 4-Acetoxy-2-aminobutanoic acid, Homoserine acetate, O-Acetyl-L-homoserine, O-Acetylhomoserine |
| Compound Name | 4-Acetyloxy-2-aminobutanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 1.8911266000000002 |
| Inchi | InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10) |
| Smiles | CC(=O)OCCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all