Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid

CAS No.:
1536009-93-4
Catalog Number:
AG01DTC4
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
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Product Description
Catalog Number:
AG01DTC4
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CAS Number:
1536009-93-4
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD24881171
IUPAC Name:
2-(1,5-dimethylpyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C12H19N3O4/c1-7-8(6-13-15(7)5)9(10(16)17)14-11(18)19-12(2,3)4/h6,9H,1-5H3,(H,14,18)(H,16,17)
InChI Key:
OYRSXPQAZWHMAD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1cnn(c1C)C)C(=O)O
Properties
Complexity:
353  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties