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1187926-97-1 molecular structure
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2-(3-aminopyrrolidin-1-yl)acetic acid dihydrochloride

ChemBase ID: 799239
Molecular Formular: C6H14Cl2N2O2
Molecular Mass: 217.09356
Monoisotopic Mass: 216.04323306
SMILES and InChIs

SMILES:
Cl.Cl.C(C(=O)O)N1CC(CC1)N
Canonical SMILES:
NC1CCN(C1)CC(=O)O.Cl.Cl
InChI:
InChI=1S/C6H12N2O2.2ClH/c7-5-1-2-8(3-5)4-6(9)10;;/h5H,1-4,7H2,(H,9,10);2*1H
InChIKey:
FHQISJCBOKLZMP-UHFFFAOYSA-N

Cite this record

CBID:799239 http://www.chembase.cn/molecule-799239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-aminopyrrolidin-1-yl)acetic acid dihydrochloride
IUPAC Traditional name
(3-aminopyrrolidin-1-yl)acetic acid dihydrochloride
Synonyms
(3-Amino-pyrrolidin-1-yl)-acetic acid dihydrochloride
CAS Number
1187926-97-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13607 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7815509  H Acceptors
H Donor LogD (pH = 5.5) -5.3938365 
LogD (pH = 7.4) -3.9060836  Log P -3.727423 
Molar Refractivity 36.5891 cm3 Polarizability 14.650133 Å3
Polar Surface Area 66.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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