Quisqualic Acid
PubChem CID: 40539
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| Compound Synonyms | QUISQUALIC ACID, 52809-07-1, Quisqualate, L-Quisqualic acid, (+)-Quisqualic acid, Quisqualinic acid, (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid, 8OC22C1B99, MFCD00069337, QUISQUALIC ACID [MI], CHEBI:8734, CHEMBL168279, CHEMBL279956, DTXSID20896927, 1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (S)-, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, 2jbk, (S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid, (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2or4, C5H7N3O5, .BETA.-(3,5-DIOXO-1,2,4-OXODIAZOLIDIN-2-YL)-L-ALANINE, (2S)-2-azaniumyl-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoate, [3H]quisqualate, QUS, UNII-8OC22C1B99, Quisqualate, L, L-quisqualic-acid, D-Quisqualic acid, Tocris-0188, 1mm6, 1mm7, 1p1o, Quisqualic acid, powder, AC1ODZB5, Lopac0_001039, MLS001074741, SCHEMBL136819, 2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid, GTPL1370, GTPL1372, SCHEMBL13319908, BDBM17660, ASNFTDCKZKHJSW-REOHCLBHSA-N, DTXCID601326364, HMS2233G05, HMS3411A13, HMS3675A13, BCP13297, 52809-07-1 (L-isomer), Tox21_501039, (l)-(+)-alpha-amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid, BDBM50164445, HB0387, PDSP1_000814, PDSP2_000801, AKOS024456826, DB02999, LP01039, NCGC00024489-01, NCGC00024489-02, NCGC00024489-03, NCGC00024489-04, NCGC00024489-05, NCGC00024489-07, NCGC00261724-01, DA-67081, HY-12597, MS-23020, SMR000471890, CS-0012063, NS00068417, C08296, E72650, EN300-6498825, Q756551, SR-01000597681, SR-01000597681-1, BRD-K92404805-001-07-0, beta-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Z1255415656, BETA-(3,5-DIOXO-1,2,4-OXODIAZOLIDIN-2-YL)-L-ALANINE, L-Alanine, 3-(3-hydroxy-5-oxo-1,2,4-oxadiazol-2(5H)-yl)-, (S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoicacid, 2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid, 2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid(Quisqualic acid), 637-070-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 122.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC(C)C1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OC=O)[C@H]Cnoc=O)[nH]c5=O)))))))N |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1NOC(O)N1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7N3O5 |
| Scaffold Graph Node Bond Level | O=c1[nH]oc(=O)[nH]1 |
| Inchi Key | ASNFTDCKZKHJSW-REOHCLBHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | quisqualic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, c=O, c[nH]c, con(c)C |
| Compound Name | Quisqualic Acid |
| Exact Mass | 189.039 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.039 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 189.13 |
| Gi Absorption | False |
| 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/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 |
| 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 Combretum Indicum (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Geranium Wallichianum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21205899