Home Carboxys 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester, (1R,2R,4S)-rel-

7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester, (1R,2R,4S)-rel-

CAS No.:
711082-67-6
Catalog Number:
AG00IC59
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
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Product Description
Catalog Number:
AG00IC59
Chemical Name:
7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester, (1R,2R,4S)-rel-
CAS Number:
711082-67-6
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD18433537
IUPAC Name:
(1R,2R,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9+/m0/s1
InChI Key:
XRDRXGVDCVQVPV-DJLDLDEBSA-N
SMILES:
O=C(N1[C@H]2CC[C@@H]1[C@@H](C2)C(=O)O)OC(C)(C)C
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties