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146553-06-2 molecular structure
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tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate

ChemBase ID: 53038
Molecular Formular: C10H20N2O4
Molecular Mass: 232.2768
Monoisotopic Mass: 232.14230713
SMILES and InChIs

SMILES:
C(OC(=O)N[C@@H](C(=O)N(OC)C)C)(C)(C)C
Canonical SMILES:
CON(C(=O)[C@H](NC(=O)OC(C)(C)C)C)C
InChI:
InChI=1S/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/m1/s1
InChIKey:
PWQIGBOSLQHOBT-SSDOTTSWSA-N

Cite this record

CBID:53038 http://www.chembase.cn/molecule-53038.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate
IUPAC Traditional name
tert-butyl N-[(1R)-1-[methoxy(methyl)carbamoyl]ethyl]carbamate
Synonyms
(R)-tert-Butyl 1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
CAS Number
146553-06-2
MDL Number
MFCD10698129
PubChem SID
162057801
PubChem CID
23537239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 23537239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.634046  H Acceptors
H Donor LogD (pH = 5.5) 0.70489854 
LogD (pH = 7.4) 0.7048983  Log P 0.70489854 
Molar Refractivity 58.3361 cm3 Polarizability 23.040113 Å3
Polar Surface Area 67.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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