Home Carboxys 5-[(tert-butoxy)carbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid

5-[(tert-butoxy)carbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid

CAS No.:
1992978-79-6
Catalog Number:
AG01EKP2
Molecular Formula:
C11H17NO5
Molecular Weight:
243.2564
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Product Description
Catalog Number:
AG01EKP2
Chemical Name:
5-[(tert-butoxy)carbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid
CAS Number:
1992978-79-6
Molecular Formula:
C11H17NO5
Molecular Weight:
243.2564
MDL Number:
MFCD31617227
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid
InChI:
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-4-5-16-8-6(7(8)12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChI Key:
LNBOSRZHKZRHKJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1N(CCO2)C(=O)OC(C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.259g/mol
Monoisotopic Mass:
243.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties