Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-3-(3-methyl-3H-diazirin-3-yl)propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(3-methyl-3H-diazirin-3-yl)propanoic acid

CAS No.:
2095409-43-9
Catalog Number:
AG01BHUF
Molecular Formula:
C10H17N3O4
Molecular Weight:
243.2597
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Product Description
Catalog Number:
AG01BHUF
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(3-methyl-3H-diazirin-3-yl)propanoic acid
CAS Number:
2095409-43-9
Molecular Formula:
C10H17N3O4
Molecular Weight:
243.2597
MDL Number:
MFCD30733993
IUPAC Name:
3-(3-methyldiazirin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C10H17N3O4/c1-9(2,3)17-8(16)11-6(7(14)15)5-10(4)12-13-10/h6H,5H2,1-4H3,(H,11,16)(H,14,15)
InChI Key:
OMAJGFBHQOFABU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)CC1(C)N=N1
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.263g/mol
Monoisotopic Mass:
243.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties