General Information of the Compound
| Compound ID |
CP0252279
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| Compound Name |
(2S)-2-amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
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| Synonyms |
(-)-Willardiine
(S)-WILLARDIINE
1mqj
2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
21416-43-3
2990AH
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine
3-(Uracil-1-yl)-L-alanine
96108-98-4
AC1L98KY
AKOS006281897
BDBM17661
C03584
CCG-205293
CHEBI:15851
CHEMBL122005
CS-3618
CTK5H8581
DB04129
EU-0101219
HWD
HY-12499
Lopac0_001219
MolPort-003-959-938
NCGC00094464-03
S(-)-Willardiine
SCHEMBL13319907
SCHEMBL401191
Willardiine
ZINC901774
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| Structure |
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| Formula |
C7H9N3O4
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| Molecular Weight |
199.166
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| Canonical SMILES |
N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O
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| InChI |
InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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| InChIKey |
FACUYWPMDKTVFU-BYPYZUCNSA-N
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| CAS |
21416-43-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03542, Glutamate receptor 1
Protein ID: PT01829, Glutamate receptor 2
Protein ID: PT03593, Glutamate receptor 4
Protein ID: PT03594, Glutamate receptor ionotropic, kainate 5
Clinical Information about the Compound