(+)-gamma-Hydroxy-L-homoarginine
PubChem CID: 441450
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| Compound Synonyms | (+)-gamma-Hydroxy-L-homoarginine, 1622-18-0, (2S,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid, L-threo-N6-Amidino-4-hydroxylysine, Lysine, N6-amidino-4-hydroxy-, L-threo-, (4R)-N(6)-carbamimidoyl-4-hydroxy-L-lysine, CHEBI:27429, DTXSID10936563, N~6~-Carbamimidoyl-4-hydroxylysine, C08286, Q27103125 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 148.0 |
| 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)))CCN=CN)N |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-2-amino-6-(diaminomethylideneamino)-4-hydroxyhexanoic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFBPWFODSIJGPL-UHNVWZDZSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.074 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.848 |
| Synonyms | (+)-gamma-hydroxy-l-homoarginine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CN=C(N)N, CO |
| Compound Name | (+)-gamma-Hydroxy-L-homoarginine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.122 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 204.23 |
| 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 |
| Esol | 2.1529740000000004 |
| Inchi | InChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5+/m1/s1 |
| Smiles | C(CN=C(N)N)[C@H](C[C@@H](C(=O)O)N)O |
| Nring | 0.0 |
| 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 Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all