200,000+ products from a single source!
sales@angenechem.com
1027343-59-4 | Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-6,6-dimethyl-, (1R,2R,3S,5R)-
CAS No: 1027343-59-4 Catalog No: AG00088R MDL No:
Product Description
Catalog Number:
AG00088R
Chemical Name:
Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-6,6-dimethyl-, (1R,2R,3S,5R)-
CAS Number:
1027343-59-4
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
(1R,2R,3S,5R)-6,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-11-9(12(17)18)6-8-7-10(11)15(8,4)5/h8-11H,6-7H2,1-5H3,(H,16,19)(H,17,18)/p-1/t8-,9-,10-,11-/m0/s1
InChI Key:
JPIQPRHGAXOYBG-NAKRPEOUSA-M
SMILES:
O=C(OC(C)(C)C)N[C@H]1[C@H](C[C@H]2C[C@@H]1C2(C)C)C(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
282.171g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.36g/mol
Monoisotopic Mass:
282.171g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.