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857206-11-2 molecular structure
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2-(pyrrolidin-1-yl)butanoic acid

ChemBase ID: 308182
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
N1(C(C(=O)O)CC)CCCC1
Canonical SMILES:
CCC(C(=O)O)N1CCCC1
InChI:
InChI=1S/C8H15NO2/c1-2-7(8(10)11)9-5-3-4-6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKey:
PVRBTQOCAOTJCZ-UHFFFAOYSA-N

Cite this record

CBID:308182 http://www.chembase.cn/molecule-308182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyrrolidin-1-yl)butanoic acid
IUPAC Traditional name
2-(pyrrolidin-1-yl)butanoic acid
Synonyms
2-(1-pyrrolidinyl)butanoic acid
CAS Number
857206-11-2
MDL Number
MFCD09971283

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5655824  LogD (pH = 7.4) -1.5656129 
Log P -1.5655191  Molar Refractivity 42.6316 cm3
Polarizability 16.785397 Å3 Polar Surface Area 40.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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