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Home Other Building Blocks 2-Amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid

2-Amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid

CAS No.:
440354-06-3
Catalog Number:
AG003ASY
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
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Product Description
Catalog Number:
AG003ASY
Chemical Name:
2-Amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
CAS Number:
440354-06-3
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
InChI:
InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
InChI Key:
APPLEPDDBNLZPX-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(c1cccc(c1)O)O)N
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  
Literature
Title Journal
Crystal structure of the Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex: insights into the molecular basis of kynureninase substrate specificity. Journal of medicinal chemistry 20090122
2-Amino-4-[3'-hydroxyphenyl]-4-hydroxybutanoic acid; a potent inhibitor of rat and recombinant human kynureninase. Bioorganic & medicinal chemistry letters 20020211
Properties