N(5)-acetylornithine
PubChem CID: 9920500
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| Compound Synonyms | N(5)-acetylornithine, H-Orn(Ac)-OH, 6-acetylornithine, SCHEMBL2238055, 2-amino-5-acetamidopentanoic acid, CHEBI:133179, 5-Acetamido-2-aminopentanoic acid, SS-5376, 13215-18-4 |
|---|---|
| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-acetamido-2-aminopentanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -3.7 |
| Is Pains | False |
| Molecular Formula | C7H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRXKAYJJGAAOBP-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Rotatable Bond Count | 5.0 |
| Compound Name | N(5)-acetylornithine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 174.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.12656 |
| Inchi | InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12) |
| Smiles | CC(=O)NCCCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients