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1171124-68-7 molecular structure
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rel-tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate

ChemBase ID: 800856
Molecular Formular: C11H22N2O3
Molecular Mass: 230.30398
Monoisotopic Mass: 230.16304257
SMILES and InChIs

SMILES:
[C@@H]1(CCN(C[C@H]1OC)C(=O)OC(C)(C)C)N
Canonical SMILES:
CO[C@@H]1CN(CC[C@@H]1N)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-8(12)9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKey:
QNGHCFVWYKWWMU-DTWKUNHWSA-N

Cite this record

CBID:800856 http://www.chembase.cn/molecule-800856.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rel-tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate
IUPAC Traditional name
rel-tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate
Synonyms
cis-4-Amino-3-methoxy-piperidine-1-carboxylic acid tert-butyl ester
CAS Number
1171124-68-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16925 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16925 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7097905  LogD (pH = 7.4) -1.6171468 
Log P 0.2543242  Molar Refractivity 60.9186 cm3
Polarizability 24.405922 Å3 Polar Surface Area 64.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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