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(3R,4S)-1-cyclobutanecarbonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine

ChemBase ID: 470746
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
N1(C(=O)C2CCC2)C[C@H](c2oc(cc2)C)[C@H](C1)N
Canonical SMILES:
N[C@H]1CN(C[C@@H]1c1ccc(o1)C)C(=O)C1CCC1
InChI:
InChI=1S/C14H20N2O2/c1-9-5-6-13(18-9)11-7-16(8-12(11)15)14(17)10-3-2-4-10/h5-6,10-12H,2-4,7-8,15H2,1H3/t11-,12-/m0/s1
InChIKey:
QCWJEJYZZJPTKG-RYUDHWBXSA-N

Cite this record

CBID:470746 http://www.chembase.cn/molecule-470746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S)-1-cyclobutanecarbonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
IUPAC Traditional name
(3R,4S)-1-cyclobutanecarbonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
Synonyms
(3R*,4S*)-1-(cyclobutylcarbonyl)-4-(5-methyl-2-furyl)-3-pyrrolidinamine

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 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.0547967  LogD (pH = 7.4) -0.5847976 
Log P 0.7707539  Molar Refractivity 68.6211 cm3
Polarizability 26.812475 Å3 Polar Surface Area 59.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.3  LOG S -2.12 
Polar Surface Area 59.47 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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