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108149-63-9 molecular structure
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tert-butyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

ChemBase ID: 798732
Molecular Formular: C11H21NO4
Molecular Mass: 231.28874
Monoisotopic Mass: 231.14705816
SMILES and InChIs

SMILES:
O1C(N([C@@H](C1)CO)C(=O)OC(C)(C)C)(C)C
Canonical SMILES:
OC[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C
InChI:
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h8,13H,6-7H2,1-5H3/t8-/m1/s1
InChIKey:
DWFOEHLGMZJBAA-MRVPVSSYSA-N

Cite this record

CBID:798732 http://www.chembase.cn/molecule-798732.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
IUPAC Traditional name
tert-butyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Synonyms
(r)-3-boc-2,2-dimethyl-4-hydroxymethyloxazolidine
(r)-4-hydroxymethyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
CAS Number
108149-63-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.011187  H Acceptors
H Donor LogD (pH = 5.5) 0.8291758 
LogD (pH = 7.4) 0.8291757  Log P 0.8291758 
Molar Refractivity 59.3991 cm3 Polarizability 23.535364 Å3
Polar Surface Area 59.0 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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