4-Amino-2-methylenebutanoic acid
PubChem CID: 5318003
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| Compound Synonyms | 4-amino-2-methylenebutanoic acid, 65370-67-4, 4-amino-2-methylidenebutanoic acid, Butanoic acid, 4-amino-2-methylene-, SCHEMBL22213, g-Amino-a-methylenebutyric acid, Y7JZZ9Y957, 4-amino-2-methylenebutanoicacid, 2-methylene-4-aminobutanoic acid, DTXSID30415729, CHEBI:173414, 4-Azanyl-2-methylidene-butanoic acid, AKOS006342414, EN300-7167166 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Aminoacids |
| Deep Smiles | NCCC=C)C=O)O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-2-methylidenebutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTWHFXMUJQRNBK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | 0.176 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -1.328 |
| Synonyms | 4-Amino-2-methylenebutanoate, g-Amino-a-methylenebutyric acid, 4-Amino-2-methylidenebutanoate, 4-amino-2-methylenebutanoic acid |
| Esol Class | Highly soluble |
| Functional Groups | C=C(C)C(=O)O, CN |
| Compound Name | 4-Amino-2-methylenebutanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 115.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 115.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 115.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | 1.2632816 |
| Inchi | InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h1-3,6H2,(H,7,8) |
| Smiles | C=C(CCN)C(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gamma amino acids and derivatives |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all