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933760-99-7 molecular structure
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2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetic acid

ChemBase ID: 310532
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
N1(C(C(=O)O)c2cnccc2)CCCC1
Canonical SMILES:
OC(=O)C(c1cccnc1)N1CCCC1
InChI:
InChI=1S/C11H14N2O2/c14-11(15)10(13-6-1-2-7-13)9-4-3-5-12-8-9/h3-5,8,10H,1-2,6-7H2,(H,14,15)
InChIKey:
IPYYHCZMMIUNGM-UHFFFAOYSA-N

Cite this record

CBID:310532 http://www.chembase.cn/molecule-310532.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetic acid
IUPAC Traditional name
pyridin-3-yl(pyrrolidin-1-yl)acetic acid
Synonyms
pyridin-3-yl(pyrrolidin-1-yl)acetic acid
CAS Number
933760-99-7
MDL Number
MFCD09055407

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4402813 external link Add to cart
Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9410611  LogD (pH = 7.4) -1.9412218 
Log P -1.938774  Molar Refractivity 55.8147 cm3
Polarizability 21.789236 Å3 Polar Surface Area 53.43 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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