Home Carboxys tert-butyl 3-carbamoyl-4-(1H-imidazol-4-yl)pyrrolidine-1-carboxylate

tert-butyl 3-carbamoyl-4-(1H-imidazol-4-yl)pyrrolidine-1-carboxylate

CAS No.:
2102412-89-3
Catalog Number:
AG01DIR8
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.3229
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Product Description
Catalog Number:
AG01DIR8
Chemical Name:
tert-butyl 3-carbamoyl-4-(1H-imidazol-4-yl)pyrrolidine-1-carboxylate
CAS Number:
2102412-89-3
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.3229
MDL Number:
MFCD31555332
IUPAC Name:
tert-butyl 3-carbamoyl-4-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-5-8(9(6-17)11(14)18)10-4-15-7-16-10/h4,7-9H,5-6H2,1-3H3,(H2,14,18)(H,15,16)
InChI Key:
AVOVOFGSOJZINO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C(C1)C(=O)N)c1nc[nH]c1)OC(C)(C)C
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.154g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.328g/mol
Monoisotopic Mass:
280.154g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties