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1133229-30-7 molecular structure
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(2S)-2-[2-oxo(2H6)pyrrolidin-1-yl]butanamide

ChemBase ID: 172275
Molecular Formular: C8H14N2O2
Molecular Mass: 170.20896
Monoisotopic Mass: 170.1055277
SMILES and InChIs

SMILES:
C1CN(C(=O)C1)[C@H](C(=O)N)CC
Canonical SMILES:
CC[C@H](N1CCCC1=O)C(=O)N
InChI:
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKey:
HPHUVLMMVZITSG-LURJTMIESA-N

Cite this record

CBID:172275 http://www.chembase.cn/molecule-172275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-[2-oxo(2H6)pyrrolidin-1-yl]butanamide
IUPAC Traditional name
(2S)-2-[2-oxo(2H6)pyrrolidin-1-yl]butanamide
Synonyms
(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetamide-d6
(-)-Levetiracetam-d6
Keppra-d6
Levesam 500-d6
UCB-L 059-d6
Levetiracetam-d6See L331502
CAS Number
1133229-30-7
PubChem SID
164228185
PubChem CID
25231140

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC L331503 external link Add to cart
PubChem 25231140 external link
Data Source Data ID Price
TRC
L331503 external link Add to cart Please log in.
Data Source Data ID
PubChem 25231140 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.088663  H Acceptors
H Donor LogD (pH = 5.5) -0.59360605 
LogD (pH = 7.4) -0.5936059  Log P -0.5936059 
Molar Refractivity 44.0793 cm3 Polarizability 17.197067 Å3
Polar Surface Area 63.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - L331503 external link
The labelled (S)-enantiomer of the ethyl analog of Piracetam. Used as an anticonvulsant.

REFERENCES

REFERENCES

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  • • Gower, A.J., et al.: Eur. J. Pharmacol., 222, 193 (1992)
  • • Kasteleijn-Noist Trenite, D.G.A., et al.: Epilepsy Res., 25, 225 (1992)
  • • Patsalos, P.N., et al.: Pharmacol. Ther., 85, 77 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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