Home Carboxys 5-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1,3-oxazole-4-carboxylic acid

5-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1,3-oxazole-4-carboxylic acid

CAS No.:
1874188-30-3
Catalog Number:
AG01EKSR
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
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Product Description
Catalog Number:
AG01EKSR
Chemical Name:
5-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1,3-oxazole-4-carboxylic acid
CAS Number:
1874188-30-3
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD31665773
IUPAC Name:
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-5-4-8(6-15)10-9(11(16)17)14-7-19-10/h7-8H,4-6H2,1-3H3,(H,16,17)
InChI Key:
ZEWUILIITFKJPY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1ocnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties