Tìm theo
Beta-Alanine
Thuốc Gốc
Small Molecule
CAS: 107-95-9
CTHH: C3H7NO2
PTK: 89.0932
An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C3H7NO2
Phân tử khối
89.0932
Monoisotopic mass
89.047678473
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChI Key
InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N
IUPAC Name
3-aminopropanoic acid
Traditional IUPAC Name
β-alanine
SMILES
NCCC(O)=O
Độ tan chảy
200 dec °C
Độ hòa tan
5.45E+005 mg/L (at 25 °C)
logP
-3.05
logS
0.74
pKa (strongest acidic)
4.08
pKa (Strongest Basic)
10.31
PSA
63.32 Å2
Refractivity
20.7 m3·mol-1
Polarizability
8.62 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
pKa
3.63 (at 5 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03107
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=239
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507739
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00099
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