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


Chemical Name: 2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)propionic acid
CAS Number: 942317-54-6
Product Number: AG01DTCB(AG01DTCB)
Synonyms:
MDL No:
Molecular Formula: C12H19N3O4
Molecular Weight: 269.2970

Identification/Properties


Computed Properties
Molecular Weight:
269.301g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
269.138g/mol
Monoisotopic Mass:
269.138g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
340
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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