Home Carboxys 3-({[(tert-butoxy)carbonyl]amino}methyl)-1-methyl-1H-pyrazole-5-carboxylic acid

3-({[(tert-butoxy)carbonyl]amino}methyl)-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
1824147-46-7
Catalog Number:
AG01C6ZU
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
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Product Description
Catalog Number:
AG01C6ZU
Chemical Name:
3-({[(tert-butoxy)carbonyl]amino}methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1824147-46-7
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
MDL Number:
MFCD22396325
IUPAC Name:
2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)12-6-7-5-8(9(15)16)14(4)13-7/h5H,6H2,1-4H3,(H,12,17)(H,15,16)
InChI Key:
ATQMUKIGZLWYAK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cc(n(n1)C)C(=O)O
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties