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1263078-12-1 | 1-Piperidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1263078-12-1 Catalog No: AG000SIU MDL No:MFCD11053560
Product Description
Catalog Number:
AG000SIU
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1263078-12-1
Molecular Formula:
C15H28N2O4
Molecular Weight:
300.3938
MDL Number:
MFCD11053560
IUPAC Name:
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)16-11-8-7-9-17(10-11)13(19)21-15(4,5)6/h11H,7-10H2,1-6H3,(H,16,18)/t11-/m1/s1
InChI Key:
IPDHHWCHJZHKMH-LLVKDONJSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.399g/mol
Monoisotopic Mass:
300.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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