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1253789-76-2 | 1-Piperidinecarboxylic acid, 4-(5-amino-3-isoxazolyl)-, 1,1-dimethylethyl ester
CAS No: 1253789-76-2 Catalog No: AG000NL2 MDL No:MFCD08063177
Product Description
Catalog Number:
AG000NL2
Chemical Name:
1-Piperidinecarboxylic acid, 4-(5-amino-3-isoxazolyl)-, 1,1-dimethylethyl ester
CAS Number:
1253789-76-2
Molecular Formula:
C13H21N3O3
Molecular Weight:
267.3241
MDL Number:
MFCD08063177
IUPAC Name:
tert-butyl 4-(5-amino-1,2-oxazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H21N3O3/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)10-8-11(14)19-15-10/h8-9H,4-7,14H2,1-3H3
InChI Key:
UACKAWXFALKHES-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1noc(c1)N)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.329g/mol
Monoisotopic Mass:
267.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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