200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1260981-47-2
1260981-47-2 | 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) 2-ethyl ester, (1S,2S,4R)-
CAS No: 1260981-47-2 Catalog No: AG000RLJ MDL No:
Product Description
Catalog Number:
AG000RLJ
Chemical Name:
7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) 2-ethyl ester, (1S,2S,4R)-
CAS Number:
1260981-47-2
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
7-O-tert-butyl 2-O-ethyl (1S,2S,4R)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
InChI:
InChI=1S/C14H23NO4/c1-5-18-12(16)10-8-9-6-7-11(10)15(9)13(17)19-14(2,3)4/h9-11H,5-8H2,1-4H3/t9-,10+,11+/m1/s1
InChI Key:
NESNGXUQCAJWNN-VWYCJHECSA-N
SMILES:
CCOC(=O)[C@H]1C[C@@H]2N([C@H]1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.