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126330-77-6 molecular structure
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tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate

ChemBase ID: 796871
Molecular Formular: C8H13NO4
Molecular Mass: 187.19312
Monoisotopic Mass: 187.0844579
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@H]1C(=O)OC1
Canonical SMILES:
O=C(OC(C)(C)C)N[C@@H]1COC1=O
InChI:
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
InChIKey:
HRJDEHQWXAPGBG-RXMQYKEDSA-N

Cite this record

CBID:796871 http://www.chembase.cn/molecule-796871.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate
Synonyms
(R)-tert-Butyl (2-oxooxetan-3-yl)carbaMate
CAS Number
126330-77-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4727 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4727 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.022061  H Acceptors
H Donor LogD (pH = 5.5) 0.5309472 
LogD (pH = 7.4) 0.5309463  Log P 0.5309472 
Molar Refractivity 43.4218 cm3 Polarizability 17.529295 Å3
Polar Surface Area 64.63 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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INTERNET

INTERNET

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