Amino-hydroxy-heptynoic acid
PubChem CID: 129829533
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| Compound Synonyms | amino-hydroxy-heptynoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | CCCCC#CC=O)O))))O)N |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Medium-chain hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-4-hydroxyhept-2-ynoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H11NO3 |
| Inchi Key | QAYCIFHQZNMOJD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 4-amino-4-hydroxyhept-2-ynoic acid, amino-hydroxy-heptynoic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(N)(O)C#CC(=O)O |
| Compound Name | Amino-hydroxy-heptynoic acid |
| Exact Mass | 157.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 157.17 |
| 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/C7H11NO3/c1-2-4-7(8,11)5-3-6(9)10/h11H,2,4,8H2,1H3,(H,9,10) |
| Smiles | CCCC(C#CC(=O)O)(N)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362300