200,000+ products from a single source!
sales@angenechem.com
188879-53-0 | 1-Piperidinecarboxylic acid, 4-cyano-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 188879-53-0 Catalog No: AG002HGD MDL No:
Product Description
Catalog Number:
AG002HGD
Chemical Name:
1-Piperidinecarboxylic acid, 4-cyano-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
188879-53-0
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
IUPAC Name:
tert-butyl (3S,4S)-4-cyano-3-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8-9,14H,4-5,7H2,1-3H3/t8-,9+/m0/s1
InChI Key:
KUAAPLIYEFPNBA-DTWKUNHWSA-N
SMILES:
N#C[C@H]1CCN(C[C@@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.