L-Ornithine, N5-(aminocarbonyl)-4-hydroxy-, threo-
PubChem CID: 101413035
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3618-90-4, L-Ornithine, N5-(aminocarbonyl)-4-hydroxy-, threo-, DTXSID101228280, (2S,4S)-2-amino-5-(carbamoylamino)-4-hydroxypentanoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 139.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | O[C@@H]C[C@@H]C=O)O))N)))CNC=O)N |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4S)-2-amino-5-(carbamoylamino)-4-hydroxypentanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H13N3O4 |
| Inchi Key | WSFLFFUIEVIDJY-IMJSIDKUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4-hydroxycitrulline |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(N)=O, CO |
| Compound Name | L-Ornithine, N5-(aminocarbonyl)-4-hydroxy-, threo- |
| Exact Mass | 191.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 191.091 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 191.19 |
| Gi Absorption | False |
| 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/C6H13N3O4/c7-4(5(11)12)1-3(10)2-9-6(8)13/h3-4,10H,1-2,7H2,(H,11,12)(H3,8,9,13)/t3-,4-/m0/s1 |
| Smiles | C([C@@H](CNC(=O)N)O)[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729