Cucurbitine
PubChem CID: 442634
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cucurbitine, 6807-92-7, Cucurbitin, (3R)-3-aminopyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylic acid, 3-amino-, (3R)- (9CI), 82AL4JJ8J2, 3-Pyrrolidinecarboxylic acid, 3-amino-, (R)-, (+)-Cucurbitin, (+)-cucurbitine, ZINC19851354, (R)-3-Aminopyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylicacid, 3-amino-, (3R)-, UNII-82AL4JJ8J2, 3-Pyrrolidinecarboxylic acid, 3-amino-, (3R)-, CHEBI:3954, DTXSID20218286, AKOS022182526, AT31552, (r)-3-amino-3-pyrrolidinecarboxylic acid, CS-0000119, EN300-88062, (R)-3-AMINO-PYRROLIDINE-3-CARBOXYLIC ACID, Q2667749 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@]N)CNCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-aminopyrrolidine-3-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10N2O2 |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | DWAKXSZUASEUHH-RXMQYKEDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cucurbitin, cucurbitine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC |
| Compound Name | Cucurbitine |
| Exact Mass | 130.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 130.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1 |
| Smiles | C1CNC[C@]1(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 Cucumis Melo (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Cucurbita Moschata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/13891528 - 3. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Reference:ISBN:9788185042145