Pyrosaccharopine
PubChem CID: 101642997
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| Compound Synonyms | Pyrosaccharopine, Pyrosaccharopin, L-Pyrosaccharopine, Saccharopine lactam, OUN2F25T6S, UNII-OUN2F25T6S, 38495-84-0, (S)-1-((S)-5-Amino-5-carboxypentyl)-5-oxopyrrolidine-2-carboxylic acid, 1-Pyrrolidinehexanoic acid, alpha-amino-2-carboxy-5-oxo-, DTXSID201166106, 1-PYRROLIDINEHEXANOIC ACID, .ALPHA.-AMINO-2-CARBOXY-5-OXO-, 1-Pyrrolidinehexanoic acid, I+/--amino-2-carboxy-5-oxo-, [S-(R*,R*)]- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N[C@H]C=O)O))CCCCNC=O)CC[C@H]5C=O)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CCCN1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-1-[(5S)-5-amino-5-carboxypentyl]-5-oxopyrrolidine-2-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18N2O5 |
| Scaffold Graph Node Bond Level | O=C1CCCN1 |
| Inchi Key | KZGLERZNBKMMPP-YUMQZZPRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (2s,2s)-pyrosaccharopine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)N(C)C, CC(=O)O, CN |
| Compound Name | Pyrosaccharopine |
| Exact Mass | 258.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.122 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 258.269 |
| Gi Absorption | True |
| 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/C11H18N2O5/c12-7(10(15)16)3-1-2-6-13-8(11(17)18)4-5-9(13)14/h7-8H,1-6,12H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1 |
| Smiles | C1CC(=O)N([C@@H]1C(=O)O)CCCC[C@@H](C(=O)O)N |
| 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 Fagopyrum Esculentum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729