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2002-02-0 molecular structure
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(2R)-4-oxopyrrolidine-2-carboxylic acid

ChemBase ID: 799024
Molecular Formular: C5H7NO3
Molecular Mass: 129.11398
Monoisotopic Mass: 129.04259309
SMILES and InChIs

SMILES:
N1[C@H](CC(=O)C1)C(=O)O
Canonical SMILES:
O=C1CN[C@H](C1)C(=O)O
InChI:
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m1/s1
InChIKey:
HFXAFXVXPMUQCQ-SCSAIBSYSA-N

Cite this record

CBID:799024 http://www.chembase.cn/molecule-799024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-4-oxopyrrolidine-2-carboxylic acid
IUPAC Traditional name
(2R)-4-oxopyrrolidine-2-carboxylic acid
Synonyms
(R)-4-oxopyrrolidine-2-carboxylic acid
CAS Number
2002-02-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13191 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13191 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4809406  H Acceptors
H Donor LogD (pH = 5.5) -3.1333897 
LogD (pH = 7.4) -3.7075317  Log P -3.1207683 
Molar Refractivity 28.2993 cm3 Polarizability 11.45213 Å3
Polar Surface Area 66.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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