Home Carboxys 2-{[(tert-butoxy)carbonyl]amino}-4-hydroxypyridine-3-carboxylic acid

2-{[(tert-butoxy)carbonyl]amino}-4-hydroxypyridine-3-carboxylic acid

CAS No.:
2089277-08-5
Catalog Number:
AG01BS1E
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
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Product Description
Catalog Number:
AG01BS1E
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-4-hydroxypyridine-3-carboxylic acid
CAS Number:
2089277-08-5
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
MDL Number:
MFCD30537771
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H14N2O5/c1-11(2,3)18-10(17)13-8-7(9(15)16)6(14)4-5-12-8/h4-5H,1-3H3,(H,15,16)(H2,12,13,14,17)
InChI Key:
JCSAPAPRHBSUSN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc(c1C(=O)O)O
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties