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321744-26-7 molecular structure
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1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate

ChemBase ID: 813093
Molecular Formular: C12H21NO5
Molecular Mass: 259.29884
Monoisotopic Mass: 259.14197278
SMILES and InChIs

SMILES:
[C@@H]1(CCN([C@H](C1)C(=O)OC)C(=O)OC(C)(C)C)O
Canonical SMILES:
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey:
RNMVWSAJMIKMDY-DTWKUNHWSA-N

Cite this record

CBID:813093 http://www.chembase.cn/molecule-813093.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
IUPAC Traditional name
1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate
Synonyms
(2R,4S)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER
CAS Number
321744-26-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34015 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34015 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.146098  H Acceptors
H Donor LogD (pH = 5.5) 0.24420783 
LogD (pH = 7.4) 0.24420783  Log P 0.24420783 
Molar Refractivity 64.0118 cm3 Polarizability 25.495325 Å3
Polar Surface Area 76.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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