Home Carboxys 3-Pyridinecarboxylic acid,5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-

3-Pyridinecarboxylic acid,5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-

CAS No.:
473924-59-3
Catalog Number:
AG00I8N3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
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Product Description
Catalog Number:
AG00I8N3
Chemical Name:
3-Pyridinecarboxylic acid,5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS Number:
473924-59-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD06657531
IUPAC Name:
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-6-8-4-9(10(15)16)7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
YIYVEDNKIWXTCD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cncc(c1)C(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties