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475-11-6 molecular structure
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(2S)-1-methylpyrrolidine-2-carboxylic acid

ChemBase ID: 308471
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
N1([C@H](C(=O)O)CCC1)C
Canonical SMILES:
CN1CCC[C@H]1C(=O)O
InChI:
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey:
CWLQUGTUXBXTLF-YFKPBYRVSA-N

Cite this record

CBID:308471 http://www.chembase.cn/molecule-308471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-methylpyrrolidine-2-carboxylic acid
IUPAC Traditional name
(2S)-1-methylpyrrolidine-2-carboxylic acid
Synonyms
1-methyl-L-proline
CAS Number
475-11-6
MDL Number
MFCD00011565

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4030671 external link Add to cart
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) -2.444707  LogD (pH = 7.4) -2.445056 
Log P -2.4446738  Molar Refractivity 33.359 cm3
Polarizability 13.120767 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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