(1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylic acid
PubChem CID: 25792362
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| Compound Synonyms | SCHEMBL15402932, AKOS015911550 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N[C@]C[C@H]3C=C))))C=O)O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9NO2 |
| Scaffold Graph Node Bond Level | C1CC1 |
| Inchi Key | GALLMPFNVWUCGD-XINAWCOVSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 15,16-dihydrocoronaric-acid |
| Esol Class | Highly soluble |
| Functional Groups | C=CC, CC(=O)O, CN |
| Compound Name | (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylic acid |
| Exact Mass | 127.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 127.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6+/m1/s1 |
| Smiles | C=C[C@@H]1C[C@]1(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 Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279