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915925-03-0 molecular structure
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1-(propan-2-yl)pyrrolidine-3-carboxylic acid

ChemBase ID: 307479
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
N1(CC(C(=O)O)CC1)C(C)C
Canonical SMILES:
OC(=O)C1CCN(C1)C(C)C
InChI:
InChI=1S/C8H15NO2/c1-6(2)9-4-3-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey:
OIBRWNMZOQFCTH-UHFFFAOYSA-N

Cite this record

CBID:307479 http://www.chembase.cn/molecule-307479.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(propan-2-yl)pyrrolidine-3-carboxylic acid
IUPAC Traditional name
1-isopropylpyrrolidine-3-carboxylic acid
Synonyms
1-isopropylpyrrolidine-3-carboxylic acid
CAS Number
915925-03-0
MDL Number
MFCD08060023

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9901795  LogD (pH = 7.4) -1.9830029 
Log P -1.9829158  Molar Refractivity 42.7824 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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