Home Carboxys 1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydropyridine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydropyridine-2-carboxylic acid

CAS No.:
1779402-01-5
Catalog Number:
AG01CAEN
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
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Product Description
Catalog Number:
AG01CAEN
Chemical Name:
1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydropyridine-2-carboxylic acid
CAS Number:
1779402-01-5
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD24533765
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChI Key:
FFOXQMAOPSBJON-UHFFFAOYSA-N
SMILES:
O=C(N1C=CCCC1C(=O)O)OC(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties