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83056-79-5 molecular structure
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tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

ChemBase ID: 798383
Molecular Formular: C9H16N2O3
Molecular Mass: 200.23494
Monoisotopic Mass: 200.11609238
SMILES and InChIs

SMILES:
N1(C(=O)N[C@@H](C1)C(=O)OC(C)(C)C)C
Canonical SMILES:
O=C([C@H]1NC(=O)N(C1)C)OC(C)(C)C
InChI:
InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKey:
JHSLVEQWBDYFQN-LURJTMIESA-N

Cite this record

CBID:798383 http://www.chembase.cn/molecule-798383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
IUPAC Traditional name
tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
Synonyms
tert-butyl (4s)-1-methyl-2-oxoimidazolidine-4-carboxylate
CAS Number
83056-79-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11061 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11061 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.691437  H Acceptors
H Donor LogD (pH = 5.5) 0.025462665 
LogD (pH = 7.4) 0.025460726  Log P 0.02546269 
Molar Refractivity 50.2683 cm3 Polarizability 19.763334 Å3
Polar Surface Area 58.64 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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