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162104839 molecular structure
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tert-butyl (3S)-3-cyclobutaneamidopiperidine-1-carboxylate

ChemBase ID: 90741
Molecular Formular: C15H26N2O3
Molecular Mass: 282.37854
Monoisotopic Mass: 282.1943427
SMILES and InChIs

SMILES:
N1(C(=O)OC(C)(C)C)CCC[C@@H](C1)NC(=O)C1CCC1
Canonical SMILES:
O=C(N1CCC[C@@H](C1)NC(=O)C1CCC1)OC(C)(C)C
InChI:
InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-9-5-8-12(10-17)16-13(18)11-6-4-7-11/h11-12H,4-10H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKey:
GALNUVTWOQZCFA-LBPRGKRZSA-N

Cite this record

CBID:90741 http://www.chembase.cn/molecule-90741.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3S)-3-cyclobutaneamidopiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3S)-3-cyclobutaneamidopiperidine-1-carboxylate
Synonyms
tert-Butyl (3S)-3-[(Cyclobutylcarbonyl)amino]piperidine-1-carboxylate
(3S)-1-(tert-Butoxycarbonyl)-3-[(cyclobutylcarbonyl)amino]piperidine
(3S)-3-[(Cyclobutylcarbonyl)amino]piperidine, N1-BOC protected
PubChem SID
162104839
PubChem CID
53256901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61324 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.715453  H Acceptors
H Donor LogD (pH = 5.5) 1.8021054 
LogD (pH = 7.4) 1.8021067  Log P 1.8021069 
Molar Refractivity 76.2935 cm3 Polarizability 30.03304 Å3
Polar Surface Area 58.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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