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52060-82-9 molecular structure
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(2S)-N-methylpyrrolidine-2-carboxamide

ChemBase ID: 309969
Molecular Formular: C6H12N2O
Molecular Mass: 128.17228
Monoisotopic Mass: 128.09496301
SMILES and InChIs

SMILES:
C(=O)([C@H]1NCCC1)NC
Canonical SMILES:
CNC(=O)[C@@H]1CCCN1
InChI:
InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKey:
URHXQSTYLJNJMT-YFKPBYRVSA-N

Cite this record

CBID:309969 http://www.chembase.cn/molecule-309969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-N-methylpyrrolidine-2-carboxamide
IUPAC Traditional name
(2S)-N-methylpyrrolidine-2-carboxamide
Synonyms
N-methyl-L-prolinamide
CAS Number
52060-82-9
MDL Number
MFCD01632067

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4045592 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) -3.8866143  LogD (pH = 7.4) -3.030221 
Log P -0.68040794  Molar Refractivity 34.7832 cm3
Polarizability 13.794192 Å3 Polar Surface Area 41.13 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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