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1331777-74-2 | 1-Piperidinecarboxylic acid, 4-amino-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
CAS No: 1331777-74-2 Catalog No: AG0014D8 MDL No:MFCD20922915
Product Description
Catalog Number:
AG0014D8
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
CAS Number:
1331777-74-2
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD20922915
IUPAC Name:
tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8+/m1/s1
InChI Key:
KREUZCYJWPQPJX-SFYZADRCSA-N
SMILES:
N[C@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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