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1007596-95-3 molecular structure
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tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate

ChemBase ID: 308886
Molecular Formular: C10H20N2O3
Molecular Mass: 216.2774
Monoisotopic Mass: 216.14739251
SMILES and InChIs

SMILES:
C(=O)(N1C[C@H]([C@@H](CC1)N)O)OC(C)(C)C
Canonical SMILES:
N[C@@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
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
InChIKey:
KREUZCYJWPQPJX-HTQZYQBOSA-N

Cite this record

CBID:308886 http://www.chembase.cn/molecule-308886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
Synonyms
tert-butyl rac-(3R,4R)-4-amino-3-hydroxy-1-piperidinecarboxylate
CAS Number
1007596-95-3
MDL Number
MFCD18425632

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.367199  LogD (pH = 7.4) -2.3588457 
Log P -0.3888023  Molar Refractivity 56.1674 cm3
Polarizability 22.50289 Å3 Polar Surface Area 75.79 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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