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637020-45-2 molecular structure
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2-propylpyrrolidine-2-carboxylic acid

ChemBase ID: 309444
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C(=O)(C1(NCCC1)CCC)O
Canonical SMILES:
CCCC1(CCCN1)C(=O)O
InChI:
InChI=1S/C8H15NO2/c1-2-4-8(7(10)11)5-3-6-9-8/h9H,2-6H2,1H3,(H,10,11)
InChIKey:
RMRLLCGMNPGCRH-UHFFFAOYSA-N

Cite this record

CBID:309444 http://www.chembase.cn/molecule-309444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propylpyrrolidine-2-carboxylic acid
IUPAC Traditional name
2-propylpyrrolidine-2-carboxylic acid
Synonyms
2-propylproline
CAS Number
637020-45-2
MDL Number
MFCD07388713

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) -1.1689395  LogD (pH = 7.4) -1.1687895 
Log P -1.1687765  Molar Refractivity 41.9026 cm3
Polarizability 16.785397 Å3 Polar Surface Area 49.33 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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