trans-4-Hydroxymethyl-D-proline
PubChem CID: 129630377
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| Compound Synonyms | trans-4-Hydroxymethyl-D-proline |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | [2H]C[C@H]CN[C@@H]C5)C=O)O))))))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 137.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-4-[deuterio(hydroxy)methyl]pyrrolidine-2-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H11NO3 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | CISMGNUPDUKNQK-IBIYWZRHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | trans-4-hydroxymethyl-d-proline |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CNC, CO |
| Compound Name | trans-4-Hydroxymethyl-D-proline |
| Exact Mass | 146.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.08 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1/i3D/t3?,4-,5+ |
| Smiles | [2H]C([C@@H]1C[C@H](NC1)C(=O)O)O |
| 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 Eriobotrya Japonica (Plant) Rel Props:Reference:ISBN:9788185042084