Home Carboxys 4-({[(tert-butoxy)carbonyl]amino}methyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-({[(tert-butoxy)carbonyl]amino}methyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

CAS No.:
2091419-29-1
Catalog Number:
AG01EA6E
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
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Product Description
Catalog Number:
AG01EA6E
Chemical Name:
4-({[(tert-butoxy)carbonyl]amino}methyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
CAS Number:
2091419-29-1
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD31718358
IUPAC Name:
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)15-7-9-5-4-6-17-11(9)10(8-16-17)12(18)19/h8-9H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChI Key:
YKSPYNGBYISAAG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCCn2c1c(cn2)C(=O)O
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties