Home Carboxys 5-Azaspiro[2.4]heptane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) 1-ethyl ester

5-Azaspiro[2.4]heptane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) 1-ethyl ester

CAS No.:
150543-45-6
Catalog Number:
AG001MPB
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
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Product Description
Catalog Number:
AG001MPB
Chemical Name:
5-Azaspiro[2.4]heptane-1,5-dicarboxylic acid, 5-(1,1-dimethylethyl) 1-ethyl ester
CAS Number:
150543-45-6
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
MDL Number:
MFCD28015471
IUPAC Name:
5-O-tert-butyl 2-O-ethyl 5-azaspiro[2.4]heptane-2,5-dicarboxylate
InChI:
InChI=1S/C14H23NO4/c1-5-18-11(16)10-8-14(10)6-7-15(9-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
UOYLIKIDANPYJM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC21CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties