Home Carboxys (2S*,5S*)-1-benzyl 2-ethyl 5-hydroxypiperidine-1,2-dicarboxylate

(2S*,5S*)-1-benzyl 2-ethyl 5-hydroxypiperidine-1,2-dicarboxylate

CAS No.:
1613640-67-7
Catalog Number:
AG01D93V
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
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Product Description
Catalog Number:
AG01D93V
Chemical Name:
(2S*,5S*)-1-benzyl 2-ethyl 5-hydroxypiperidine-1,2-dicarboxylate
CAS Number:
1613640-67-7
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
MDL Number:
MFCD31694266
IUPAC Name:
1-O-benzyl 2-O-ethyl 5-hydroxypiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C16H21NO5/c1-2-21-15(19)14-9-8-13(18)10-17(14)16(20)22-11-12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3
InChI Key:
VKQHKWOWPHSNGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CC[C@@H](CN1C(=O)OCc1ccccc1)O
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties