Home Carboxys 1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)piperidine-3-carboxylic acid

1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)piperidine-3-carboxylic acid

CAS No.:
1093214-91-5
Catalog Number:
AG01EKDH
Molecular Formula:
C14H23NO6
Molecular Weight:
301.3355
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Product Description
Catalog Number:
AG01EKDH
Chemical Name:
1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)piperidine-3-carboxylic acid
CAS Number:
1093214-91-5
Molecular Formula:
C14H23NO6
Molecular Weight:
301.3355
MDL Number:
MFCD24470819
IUPAC Name:
3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C14H23NO6/c1-5-20-11(18)14(10(16)17)7-6-8-15(9-14)12(19)21-13(2,3)4/h5-9H2,1-4H3,(H,16,17)
InChI Key:
LRJCRBILFNENHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.339g/mol
Monoisotopic Mass:
301.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties