Home Carboxys rac-tert-butyl (3R,4S)-3-amino-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxylate, cis

rac-tert-butyl (3R,4S)-3-amino-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxylate, cis

CAS No.:
1932793-09-3
Catalog Number:
AG01C030
Molecular Formula:
C11H19N5O2
Molecular Weight:
253.3009
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Product Description
Catalog Number:
AG01C030
Chemical Name:
rac-tert-butyl (3R,4S)-3-amino-4-(1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxylate, cis
CAS Number:
1932793-09-3
Molecular Formula:
C11H19N5O2
Molecular Weight:
253.3009
MDL Number:
MFCD31614345
IUPAC Name:
tert-butyl (3R,4S)-3-amino-4-(triazol-1-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)15-6-8(12)9(7-15)16-5-4-13-14-16/h4-5,8-9H,6-7,12H2,1-3H3/t8-,9+/m1/s1
InChI Key:
ULZNGNSUUVUKGF-BDAKNGLRSA-N
SMILES:
O=C(N1C[C@@H]([C@@H](C1)N)n1ccnn1)OC(C)(C)C
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.154g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.306g/mol
Monoisotopic Mass:
253.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties