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2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoacetamide

ChemBase ID: 341738
Molecular Formular: C10H17N3O2
Molecular Mass: 211.26088
Monoisotopic Mass: 211.1320768
SMILES and InChIs

SMILES:
N1(C(=O)C(=O)N)CC2(CNCC2)CCC1
Canonical SMILES:
NC(=O)C(=O)N1CCCC2(C1)CNCC2
InChI:
InChI=1S/C10H17N3O2/c11-8(14)9(15)13-5-1-2-10(7-13)3-4-12-6-10/h12H,1-7H2,(H2,11,14)
InChIKey:
RTRXBXFRZXSTBW-UHFFFAOYSA-N

Cite this record

CBID:341738 http://www.chembase.cn/molecule-341738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoacetamide
IUPAC Traditional name
2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoacetamide
Synonyms
2-(2,7-diazaspiro[4.5]dec-7-yl)-2-oxoacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14061410 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.199844  H Acceptors
H Donor LogD (pH = 5.5) -4.5053353 
LogD (pH = 7.4) -4.358345  Log P -1.2655503 
Molar Refractivity 55.3633 cm3 Polarizability 21.672688 Å3
Polar Surface Area 75.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.54  LOG S -0.74 
Polar Surface Area 75.43 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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