Home Carbonyls 2-(3-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid

2-(3-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid

CAS No.:
2031268-69-4
Catalog Number:
AG01B27X
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
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Product Description
Catalog Number:
AG01B27X
Chemical Name:
2-(3-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid
CAS Number:
2031268-69-4
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD30344730
IUPAC Name:
2-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]propanoic acid
InChI:
InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)13-8-6-7-15(14-8)12(4,5)9(16)17/h6-7H,1-5H3,(H,16,17)(H,13,14,18)
InChI Key:
VTIKXWMYUQDFHB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccn(n1)C(C(=O)O)(C)C)OC(C)(C)C
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.138g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties