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73323-65-6 molecular structure
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1-tert-butyl 2-methyl (2R)-pyrrolidine-1,2-dicarboxylate

ChemBase ID: 51492
Molecular Formular: C11H19NO4
Molecular Mass: 229.27286
Monoisotopic Mass: 229.13140809
SMILES and InChIs

SMILES:
C(=O)(N1[C@@H](C(=O)OC)CCC1)OC(C)(C)C
Canonical SMILES:
COC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey:
WVDGSSCWFMSRHN-MRVPVSSYSA-N

Cite this record

CBID:51492 http://www.chembase.cn/molecule-51492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-tert-butyl 2-methyl (2R)-pyrrolidine-1,2-dicarboxylate
IUPAC Traditional name
1-tert-butyl 2-methyl (2R)-pyrrolidine-1,2-dicarboxylate
Synonyms
1-tert-Butyl 2-methyl (2R)-pyrrolidine-1,2-dicarboxylate
(R)-1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CAS Number
73323-65-6
MDL Number
MFCD00190828
PubChem SID
162056255
PubChem CID
1277667

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1277667 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3319457  LogD (pH = 7.4) 1.3319457 
Log P 1.3319457  Molar Refractivity 57.8285 cm3
Polarizability 22.996452 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
Storage Condition
Store at 4°C expand Show data source
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
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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