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2584-71-6 molecular structure
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(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride

ChemBase ID: 69089
Molecular Formular: C5H10ClNO3
Molecular Mass: 167.5908
Monoisotopic Mass: 167.03492087
SMILES and InChIs

SMILES:
N1[C@H](C[C@H](C1)O)C(=O)O.Cl
Canonical SMILES:
O[C@H]1CN[C@H](C1)C(=O)O.Cl
InChI:
InChI=1S/C5H9NO3.ClH/c7-3-1-4(5(8)9)6-2-3;/h3-4,6-7H,1-2H2,(H,8,9);1H/t3-,4-;/m1./s1
InChIKey:
YEJFFQAGTXBSTI-VKKIDBQXSA-N

Cite this record

CBID:69089 http://www.chembase.cn/molecule-69089.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride
IUPAC Traditional name
cis-4-hydroxy-D-proline hydrochloride
Synonyms
cis-4-Hydroxy-D-proline hydrochloride
CAS Number
2584-71-6
77449-94-6
MDL Number
MFCD09749867
PubChem SID
162034818
PubChem CID
12310682

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12310682 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -3.7165344  Log P -3.7163188 
Molar Refractivity 29.3822 cm3 Polarizability 11.9828205 Å3
Polar Surface Area 69.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 1.641382 
H Acceptors H Donor
LogD (pH = 5.5) -3.7163465 

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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