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342793-00-4 molecular structure
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(2S)-1-(propan-2-yl)pyrrolidine-2-carboxylic acid

ChemBase ID: 309058
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
N1([C@H](C(=O)O)CCC1)C(C)C
Canonical SMILES:
OC(=O)[C@@H]1CCCN1C(C)C
InChI:
InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey:
CKPAOPWAVKSUPQ-ZETCQYMHSA-N

Cite this record

CBID:309058 http://www.chembase.cn/molecule-309058.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-(propan-2-yl)pyrrolidine-2-carboxylic acid
IUPAC Traditional name
(2S)-1-isopropylpyrrolidine-2-carboxylic acid
Synonyms
1-isopropyl-L-proline
CAS Number
342793-00-4
MDL Number
MFCD12827527

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6715406  LogD (pH = 7.4) -1.6715615 
Log P -1.6714786  Molar Refractivity 42.5264 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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