Home Carbonyls 2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid

2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid

CAS No.:
1955531-04-0
Catalog Number:
AG01B27W
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
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Product Description
Catalog Number:
AG01B27W
Chemical Name:
2-(4-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid
CAS Number:
1955531-04-0
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD30180418
IUPAC Name:
2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]propanoic acid
InChI:
InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)14-8-6-13-15(7-8)12(4,5)9(16)17/h6-7H,1-5H3,(H,14,18)(H,16,17)
InChI Key:
NVJXHKMOFYGMCH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cnn(c1)C(C(=O)O)(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:
1.1  
Properties