2-Amino-4-aminooxybutanoic acid
PubChem CID: 4391006
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| Compound Synonyms | 2-amino-4-aminooxybutanoic acid, 15985-61-2, 2-amino-4-(aminooxy)butanoic acid, DL-Canaline, Canaline, DL-, o-Amino-DL-homoserine, Canaline, (+/-)-, DL-Homoserine, o-amino-, 9ACN0Y14CX, L-Canaline base, (S)-2-Amino-4-(aminooxy)butanoic acid, Canalin, O-aminohomoserine, UNII-9ACN0Y14CX, SCHEMBL308405, DTXSID80862042, 2-amino-4-(aminooxy)butanoicacid, HMS3869M03, AAA49693, BCP31709, NSC80847, NSC-80847, EN300-296164, Canaline, O-Amino-L-homoserine, L-Canalin, 2-Amino-4-(aminooxy)butyric acid |
|---|---|
| Topological Polar Surface Area | 98.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Description | Present in Canavalia ensiformis (Jackbean). L-2-Amino-4-(aminooxy)butanoic acid is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P04181 |
| Iupac Name | 2-amino-4-aminooxybutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H10N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQPGMQABJNQLLF-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 1-Amino-3-amino-oxybutyric acid, 2-Amino-4-(aminooxy)butanoic acid, 8CI, L-form, 2-Amino-4-(aminooxy)butyric acid, Canaline, L-2-Amino-4-(aminooxy)butyrate, L-2-Amino-4-(aminooxy)butyric acid, L-a-Amino-g-(aminooxy)-N-butyric acid, L-alpha-amino-gamma-(Aminooxy)-N-butyric acid, L-Canaline, o-Amino-L-homoserine |
| Substituent Name | D-alpha-amino acid, Amino fatty acid, Fatty acyl, Fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | 2-Amino-4-aminooxybutanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 134.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.484063 |
| Inchi | InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8) |
| Smiles | C(CON)C(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients