2-Amino-5-hydroxyhexanoic acid
PubChem CID: 22998818
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| Compound Synonyms | 2-amino-5-hydroxyhexanoic acid, 5873-15-4, 2-amino-5-hydroxyhexanoicacid, SCHEMBL1512920, AKOS006339222, EN300-1298527 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CCCCCC=O)O))N))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-hydroxyhexanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H13NO3 |
| Inchi Key | CQUIPUAMBATVOP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-amino-5-hydroxyhexanoic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CO |
| Compound Name | 2-Amino-5-hydroxyhexanoic acid |
| Exact Mass | 147.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 147.17 |
| 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/C6H13NO3/c1-4(8)2-3-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10) |
| Smiles | CC(CCC(C(=O)O)N)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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