2-(2-Oxopyrrolidin-1-yl)butanoic acid

HCID 10464751CAS 67118-31-4

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Grundinformationen

Standard-SMILES: CCC(C(=O)O)N1CCCC1=O
InChIKey: IODGAONBTQRGGG-UHFFFAOYSA-N
Summenformel: C8H13NO3
Durchschnittliche Molmasse: 171,19 g/mol
Monoisotopische Masse: 171,08954328

Namen und Bezeichner

Bevorzugter Name: 2-(2-Oxopyrrolidin-1-yl)butanoic acid
IUPAC: 2-(2-oxopyrrolidin-1-yl)butanoic acid
Englischer Name: alpha-Ethyl-2-oxo-1-pyrrolidineacetic acid
Summenformel: C8H13NO3
Molmasse: 171.19

Namen und Synonyme

2-(2-oxopyrrolidin-1-yl)butanoic AcidImp-2 cpdRefChem:4543662-pyrrilidone-N-butyric acid1-ethyl-2-oxo-1-pyrrolidine acetic acid102-807-467118-31-4alpha-Ethyl-2-oxo-1-pyrrolidineacetic acidLevetiracetam EP Impurity A(2RS)-2-(2-Oxopyrrolidin-1-yl)butanoic acidLevetiracetam acid, (+/-)-Levetiracetam impurity A

Weitere Namen anzeigen

LEVETIRACETAM EP IMP ALevatiracetam Impurity AEthyl 2-oxo-1-pyrrolidineacetate2-(2-oxopyrrolidin-1-yl)butanamideEthyl (2-oxopyrrolidin-1-yl)acetateEthyl-2-oxo-1-pyrrolidineacetic acid2-(2-oxo-1-pyrrolidinyl)butyric acid

Etiracetam carboxylic acidT5GZ0UL12V2-(2-Oxopyrrolidin-1-yl)butanoic acid, (+/-)-2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2RS)-UNII-T5GZ0UL12VLevetiracetam Imp. A (EP); 1-Pyrrolidineacetic acid, alpha-ethyl-2-oxo-; Levetiracetam Impurity AMFCD08236692(2R)-2-(2-oxo-1-pyrrolidinyl)butanoic acid

Datenbank-Bezeichner

CAS: 67118-31-4
PubChem CID: 10464751
UNII: T5GZ0UL12V
EC Number: 102-807-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Schmelzpunkt: 155 · 155-158 °C
Siedepunkt: 371 · 371.0±25.0 °C(Predicted)
Dichte: 1.227 · 1.227
storage temp.: 2 · 2-8°C
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
pka: 3.76 · 3.76±0.10(Predicted)
Farbe: White to Off-White
Major Application: pharmaceutical (small molecule)
InChI: 1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKey: IODGAONBTQRGGG-UHFFFAOYSA-N
SMILES: N1(CCCC1=O)C(CC)C(=O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.