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77510-50-0 molecular structure
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(3R)-3-hydroxypyrrolidin-2-one

ChemBase ID: 796278
Molecular Formular: C4H7NO2
Molecular Mass: 101.10388
Monoisotopic Mass: 101.04767847
SMILES and InChIs

SMILES:
N1C(=O)[C@@H](CC1)O
Canonical SMILES:
O=C1NCC[C@H]1O
InChI:
InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1
InChIKey:
FRKGSNOMLIYPSH-GSVOUGTGSA-N

Cite this record

CBID:796278 http://www.chembase.cn/molecule-796278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-hydroxypyrrolidin-2-one
IUPAC Traditional name
(3R)-3-hydroxypyrrolidin-2-one
Synonyms
(R)-3-Hydroxypyrrolidin-2-one
CAS Number
77510-50-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2105 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2105 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.054711  H Acceptors
H Donor LogD (pH = 5.5) -1.5234692 
LogD (pH = 7.4) -1.5234702  Log P -1.5234692 
Molar Refractivity 23.7065 cm3 Polarizability 9.2818985 Å3
Polar Surface Area 49.33 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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