Glycine, N-(3-hydroxyphenyl)-
PubChem CID: 5318318
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| Compound Synonyms | Glycine, N-(3-hydroxyphenyl)-, 56797-33-2, DTXSID90415740, 2-((3-hydroxyphenyl)amino)acetic acid, SCHEMBL150832, DTXCID70366589, SDQUDWYMWXUWPV-UHFFFAOYSA-N, PDSP1_001427, PDSP2_001411 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)CNcccccc6)O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxyanilino)acetic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDQUDWYMWXUWPV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.125 |
| Logs | -1.326 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.143 |
| Synonyms | m-hydroxyphenylglycine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, cNC, cO |
| Compound Name | Glycine, N-(3-hydroxyphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 167.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.2059672 |
| Inchi | InChI=1S/C8H9NO3/c10-7-3-1-2-6(4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12) |
| Smiles | C1=CC(=CC(=C1)O)NCC(=O)O |
| Nring | 1.0 |
| 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 Euphorbia Helioscopia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all