General Information of the Compound
| Compound ID |
CP0041604
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| Compound Name |
3-aminopropanoic acidbeta-alanine
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| Synonyms |
.beta.-Alanine
.beta.-Aminopropionic acid
107-95-9
11P2JDE17B
2-Carboxyethylamine
3-Aminopropanoate
3-Aminopropanoic acid
3-Aminopropionic acid
3-Aminopropionsaeure
3-amino-propionic acid
AI3-18470
Abufene
Alanine, beta-
B-ALANINE
Beta Alanine
Beta-Alanine
CHEBI:16958
CHEMBL297569
EINECS 203-536-5
FEMA No. 3252
H-beta-Ala-OH
MFCD00008200
NSC 7603
NSC7603
Propanoic acid, 3-amino-
UNII-11P2JDE17B
beta-Ala
beta-Alaine
beta-Alanine, 99%
beta-Aminopropionic acid
beta-Aminopropionsaeure
beta-alanine
omega-Aminopropionic acid
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| Structure |
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| Formula |
C3H7NO2
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| Molecular Weight |
89.094
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| Canonical SMILES |
NCCC(O)=O
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| InChI |
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
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| InChIKey |
UCMIRNVEIXFBKS-UHFFFAOYSA-N
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| CAS |
28854-76-4
39748-53-3
107-95-9
87867-95-6
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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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3
Clinical Information about the Compound