Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

HCID 558761

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Basic information

CAS: 89317-07-7
Standard SMILES: CCOC(=O)CCC1CCC(=O)N1
InChIKey: YFBCKVZBTFSKHG-UHFFFAOYSA-N
Molecular formula: C9H15NO3
Average molar mass: 185.22 g/mol
Monoisotopic mass: 185.10519334

Names & identifiers

Preferred name: Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
IUPAC: ethyl 3-(5-oxopyrrolidin-2-yl)propanoate

Names & synonyms

ethyl 3-(5-oxopyrrolidin-2-yl)propanoate89317-07-7RefChem:594703102-123-6ethyl3-(5-oxopyrrolidin-2-yl)propanoatePyrrolidine-5-one-2-propionic acid, ethyl etherCHEMBL146645SCHEMBL10372330AT44981Ethyl 3-(5-oxo-2-pyrrolidinyl)propanoateCS-0262063Ethyl 3-(5-oxo-2-pyrrolidinyl)propanoate #

Show more names

Pyrrol-2-one-5-propionic acid, ethyl ester5-oxo-2-pyrrolidinepropanoic acid ethyl esterEN300-8115477Pyrrolidine-5-one-2-propionic acid, ethyl (ester)

Database identifiers

CAS: 89317-07-7
PubChem CID: 558761
ChEMBL: CHEMBL146645
EC Number: 102-123-6

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 203

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.