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1312812-78-4

1312812-78-4 | 1-Piperidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S)-

CAS No: 1312812-78-4 Catalog No: AG000VUP MDL No:MFCD22372694

Product Description

Catalog Number:
AG000VUP
Chemical Name:
1-Piperidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3S,4S)-
CAS Number:
1312812-78-4
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD22372694
IUPAC Name:
tert-butyl (3S,4S)-3-amino-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m0/s1
InChI Key:
LUQURLQDYAJECW-YUMQZZPRSA-N
SMILES:
O[C@H]1CCN(C[C@@H]1N)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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