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610299-77-9 molecular structure
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(2S)-1-(prop-2-en-1-yl)pyrrolidine-2-carboxylic acid

ChemBase ID: 309974
Molecular Formular: C8H13NO2
Molecular Mass: 155.19432
Monoisotopic Mass: 155.09462866
SMILES and InChIs

SMILES:
N1([C@H](C(=O)O)CCC1)CC=C
Canonical SMILES:
C=CCN1CCC[C@H]1C(=O)O
InChI:
InChI=1S/C8H13NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h2,7H,1,3-6H2,(H,10,11)/t7-/m0/s1
InChIKey:
DOGFGDKIOOAKNQ-ZETCQYMHSA-N

Cite this record

CBID:309974 http://www.chembase.cn/molecule-309974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-(prop-2-en-1-yl)pyrrolidine-2-carboxylic acid
IUPAC Traditional name
(2S)-1-(prop-2-en-1-yl)pyrrolidine-2-carboxylic acid
Synonyms
1-allyl-L-proline
CAS Number
610299-77-9
MDL Number
MFCD09757461

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7129161  LogD (pH = 7.4) -1.7137766 
Log P -1.7128867  Molar Refractivity 42.5217 cm3
Polarizability 16.539894 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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