Home Carbonyls 2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)propionic acid

2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)propionic acid

CAS No.:
942317-54-6
Catalog Number:
AG01DTCB
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
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Product Description
Catalog Number:
AG01DTCB
Chemical Name:
2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)propionic acid
CAS Number:
942317-54-6
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD09917026
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrazol-4-yl)propanoic acid
InChI:
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)14-9(10(16)17)5-8-6-13-15(4)7-8/h6-7,9H,5H2,1-4H3,(H,14,18)(H,16,17)
InChI Key:
GAZFWAVSPPBWFO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1cnn(c1)C
Properties
Complexity:
340  
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:
6  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties