Home Carboxys oxalic acid, tert-butyl 5-(aminomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate

oxalic acid, tert-butyl 5-(aminomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate

CAS No.:
2138426-34-1
Catalog Number:
AG01EJN3
Molecular Formula:
C14H22N2O8
Molecular Weight:
346.3331
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Product Description
Catalog Number:
AG01EJN3
Chemical Name:
oxalic acid, tert-butyl 5-(aminomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
CAS Number:
2138426-34-1
Molecular Formula:
C14H22N2O8
Molecular Weight:
346.3331
MDL Number:
MFCD31449521
IUPAC Name:
tert-butyl 5-(aminomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate;oxalic acid
InChI:
InChI=1S/C12H20N2O4.C2H2O4/c1-11(2,3)18-10(16)14-6-12(7-14)4-9(15)17-8(12)5-13;3-1(4)2(5)6/h8H,4-7,13H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
QSIOYRXJVQLPRY-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC1OC(=O)CC21CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.138g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
346.336g/mol
Monoisotopic Mass:
346.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties