(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid
Properties
- Molecular formula
- C8H13NO3
- Molar mass
- 171.20 g/mol
- Exact mass
- 171.0895 Da
- Melting point
- 124–126 °C
- logP
- 0.47Crippen estimate
- Polar surface area
- 57.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
102849-49-0SMILES
CC[C@@H](C(=O)O)N1CCCC1=OInChIKey
IODGAONBTQRGGG-LURJTMIESA-NInChI
InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2S)-
- Ucb-L 057
- 1-Pyrrolidineacetic acid, α-ethyl-2-oxo-, (αS)-
- 1-Pyrrolidineacetic acid, α-ethyl-2-oxo-, (S)-
- 2-Pyrrolidinone-n-butyric acid
- 1-Pyrrolidineacetic acid α-ethyl-2-oxo-, (αS)-
Work with (αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Levetiracetam102767-28-268 % similar
α-Ethyl-2-oxo-1-pyrrolidineacetamide33996-58-668 % similar
1-(2-Chloroacetyl)-L-proline23500-10-951 % similar
Glycyl-L-proline704-15-450 % similar
Ac-dl-pro-oh1074-79-945 % similar
N-Acetyl-D-proline59785-68-145 % similar
N-Acetyl-L-proline68-95-145 % similar
N-Cyclohexyl-2-pyrrolidone6837-24-743 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds