Nopalinic acid
PubChem CID: 4474580
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| Compound Synonyms | Nopalinic acid, Ornaline, 63409-16-5, 2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid, N2-(1,3-Dicarboxypropyl)ornithine, C01683, CHEBI:133921, UXZAXFPFSQRZOZ-UHFFFAOYSA-N, DTXSID001243308, N-(4-amino-1-carboxybutyl)glutamic acid, N-(4-Amino-1-carboxybutyl)glutamic acid, 9CI, N-[(1S)-4-Amino-1-carboxybutyl]-D-glutamic acid |
|---|---|
| Topological Polar Surface Area | 150.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | -5.9 |
| Is Pains | False |
| Molecular Formula | C10H18N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXZAXFPFSQRZOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Rotatable Bond Count | 10.0 |
| Compound Name | Nopalinic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.116 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 262.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 262.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.8983756000000005 |
| Inchi | InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18) |
| Smiles | C(CC(C(=O)O)NC(CCC(=O)O)C(=O)O)CN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:cmaup_ingredients