Home Carbonyls 2-{2-[(tert-butoxy)carbonyl]-6-oxa-2-azaspiro[3.4]octan-7-yl}acetic acid

2-{2-[(tert-butoxy)carbonyl]-6-oxa-2-azaspiro[3.4]octan-7-yl}acetic acid

CAS No.:
2137844-54-1
Catalog Number:
AG01EKX7
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
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Product Description
Catalog Number:
AG01EKX7
Chemical Name:
2-{2-[(tert-butoxy)carbonyl]-6-oxa-2-azaspiro[3.4]octan-7-yl}acetic acid
CAS Number:
2137844-54-1
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD31559181
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxa-2-azaspiro[3.4]octan-7-yl]acetic acid
InChI:
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-13(7-14)5-9(18-8-13)4-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChI Key:
UAHRSRFBWCNQER-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCC2(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties