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

HCID 10464751CAS 67118-31-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(C(=O)O)N1CCCC1=O
InChIKey: IODGAONBTQRGGG-UHFFFAOYSA-N
Molecular formula: C8H13NO3
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.08954328

Names & identifiers

Preferred name: 2-(2-Oxopyrrolidin-1-yl)butanoic acid
IUPAC: 2-(2-oxopyrrolidin-1-yl)butanoic acid
English name: alpha-Ethyl-2-oxo-1-pyrrolidineacetic acid
Molecular formula: C8H13NO3
Molecular weight: 171.19

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 202

Physicochemical properties

Melting point: 155 · 155-158 °C
Boiling point: 371 · 371.0±25.0 °C(Predicted)
Density: 1.227 · 1.227
storage temp.: 2 · 2-8°C
solubility: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
pka: 3.76 · 3.76±0.10(Predicted)
color: 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
FDA UNII: 5 GZ0UL12V · T5GZ0UL12V
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501