Tìm theo
1-Aminocyclopropanecarboxylic Acid
Thuốc Gốc
Small Molecule
CAS: 22059-21-8
CTHH: C4H7NO2
PTK: 101.1039
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C4H7NO2
Phân tử khối
101.1039
Monoisotopic mass
101.047678473
InChI
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
InChI Key
InChIKey=PAJPWUMXBYXFCZ-UHFFFAOYSA-N
IUPAC Name
1-aminocyclopropane-1-carboxylic acid
Traditional IUPAC Name
1-aminocyclopropane-1-carboxylic acid
SMILES
NC1(CC1)C(O)=O
Độ hòa tan
4.37e+02 g/l
logP
-2.78
logS
0.64
pKa (strongest acidic)
2.2
pKa (Strongest Basic)
9.35
PSA
63.32 Å2
Refractivity
23.25 m3·mol-1
Polarizability
9.6 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
2.73
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02085
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=535
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505058
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01234
ChemSpider
http://www.chemspider.com/Chemical-Structure.520.html
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