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92235-39-7 molecular structure
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tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate

ChemBase ID: 286784
Molecular Formular: C10H18N2O3
Molecular Mass: 214.26152
Monoisotopic Mass: 214.13174245
SMILES and InChIs

SMILES:
O=C(OC(C)(C)C)N[C@@H]1C(=O)NCCC1
Canonical SMILES:
O=C(OC(C)(C)C)N[C@H]1CCCNC1=O
InChI:
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKey:
SSBSATYPIISWFD-ZETCQYMHSA-N

Cite this record

CBID:286784 http://www.chembase.cn/molecule-286784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
Synonyms
tert-Butyl (S)-2-oxopiperidin-3-ylcarbamate
CAS Number
92235-39-7
PubChem SID
180672315
PubChem CID
124787

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD48912 Please log in.
Data Source Data ID
PubChem 124787 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.553131  H Acceptors
H Donor LogD (pH = 5.5) 0.37910903 
LogD (pH = 7.4) 0.37910876  Log P 0.37910903 
Molar Refractivity 54.8816 cm3 Polarizability 21.589672 Å3
Polar Surface Area 67.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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