Home Carboxys 3-[(tert-butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

3-[(tert-butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

CAS No.:
1174311-20-6
Catalog Number:
AG01A6TQ
Molecular Formula:
C14H21NO5
Molecular Weight:
283.3202
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Product Description
Catalog Number:
AG01A6TQ
Chemical Name:
3-[(tert-butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CAS Number:
1174311-20-6
Molecular Formula:
C14H21NO5
Molecular Weight:
283.3202
MDL Number:
MFCD24533822
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
InChI:
InChI=1S/C14H21NO5/c1-14(2,3)20-13(19)15-6-9-4-8(12(17)18)5-10(7-15)11(9)16/h8-10H,4-7H2,1-3H3,(H,17,18)
InChI Key:
HSEIFGFVCUJCPO-UHFFFAOYSA-N
SMILES:
O=C1C2CN(CC1CC(C2)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.142g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.324g/mol
Monoisotopic Mass:
283.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties