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132482-05-4 molecular structure
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methyl 2-[(2R)-pyrrolidin-2-yl]acetate

ChemBase ID: 291345
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
O=C(OC)C[C@@H]1NCCC1
Canonical SMILES:
COC(=O)C[C@H]1CCCN1
InChI:
InChI=1S/C7H13NO2/c1-10-7(9)5-6-3-2-4-8-6/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKey:
QVQOWGPBRKRAOW-ZCFIWIBFSA-N

Cite this record

CBID:291345 http://www.chembase.cn/molecule-291345.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-[(2R)-pyrrolidin-2-yl]acetate
IUPAC Traditional name
methyl 2-[(2R)-pyrrolidin-2-yl]acetate
Synonyms
(R)-Methyl 2-(pyrrolidin-2-yl)acetate
CAS Number
132482-05-4
MDL Number
MFCD11505917
PubChem SID
180676876
PubChem CID
11571818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231173 Please log in.
Data Source Data ID
PubChem 11571818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0956697  LogD (pH = 7.4) -2.5810475 
Log P 0.13357617  Molar Refractivity 37.4577 cm3
Polarizability 15.197755 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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