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201469-31-0 molecular structure
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(2S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid hydrochloride

ChemBase ID: 796540
Molecular Formular: C5H8ClNO2
Molecular Mass: 149.57552
Monoisotopic Mass: 149.02435618
SMILES and InChIs

SMILES:
Cl.N1[C@@H](C=CC1)C(=O)O
Canonical SMILES:
OC(=O)[C@H]1NCC=C1.Cl
InChI:
InChI=1S/C5H7NO2.ClH/c7-5(8)4-2-1-3-6-4;/h1-2,4,6H,3H2,(H,7,8);1H/t4-;/m0./s1
InChIKey:
PBONQQTYSBKKTR-WCCKRBBISA-N

Cite this record

CBID:796540 http://www.chembase.cn/molecule-796540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid hydrochloride
IUPAC Traditional name
(2S)-2,5-dihydro-1H-pyrrole-2-carboxylic acid hydrochloride
Synonyms
(S)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid hydrochloride
CAS Number
201469-31-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3295 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3295 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7623979  H Acceptors
H Donor LogD (pH = 5.5) -2.6187618 
LogD (pH = 7.4) -2.6189113  Log P -2.6187227 
Molar Refractivity 28.8729 cm3 Polarizability 11.044176 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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