Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methylpropanoic acid

2-{1-[(tert-butoxy)carbonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methylpropanoic acid

CAS No.:
1785037-71-9
Catalog Number:
AG01EM2U
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
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Product Description
Catalog Number:
AG01EM2U
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]-1,2,3,6-tetrahydropyridin-4-yl}-2-methylpropanoic acid
CAS Number:
1785037-71-9
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
MDL Number:
MFCD31617630
IUPAC Name:
2-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]propanoic acid
InChI:
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-6-10(7-9-15)14(4,5)11(16)17/h6H,7-9H2,1-5H3,(H,16,17)
InChI Key:
QADGUZGCNPJQQH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)C(C(=O)O)(C)C)OC(C)(C)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties