CAS 7766-86-1 3-(5-Oxopyrrolidin-2-yl)propanoic acid (HCID 4585667)

Substructure search Find similar structures

Basic information

CAS: 7766-86-1
Standard SMILES: O=C(O)CCC1CCC(=O)N1
InChIKey: CSBJIXVKDCZBPF-UHFFFAOYSA-N
Molecular formula: C7H11NO3
Average molar mass: 157.17 g/mol
Monoisotopic mass: 157.07389321

Names & identifiers

Preferred name: 3-(5-Oxopyrrolidin-2-yl)propanoic acid
IUPAC: 3-(5-oxopyrrolidin-2-yl)propanoic acid
English name: 5-Oxo-2-pyrrolidinepropanoic acid
Molecular formula: C7H11NO3
Molecular weight: 157.17

Names & synonyms

3-(5-oxopyrrolidin-2-yl)propanoic acid7766-86-1DTXSID50404559RefChem:274970DTXCID70355413851-116-05-oxo-2-pyrrolidinepropanoic acid3-(5-Oxo-pyrrolidin-2-yl)-propionic acid3-(5-oxo-2-pyrrolidinyl)propanoic acidChemDiv3_0068132-Pyrrolidinepropanoic acid, 5-oxo-PD-106687

Show more names

CHEMBL356492SCHEMBL4579585CSBJIXVKDCZBPF-UHFFFAOYSA-NHMS1492F15HAA76686STK974410AKOS000303514AKOS016344624

Database identifiers

CAS: 7766-86-1
PubChem CID: 4585667
DTXSID: DTXSID50404559
ChEMBL: CHEMBL356492
EC Number: 851-116-0
Nikkaji: J326.605B

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 126 · 126-127 °C(Solv: ethanol (64-17-5); benzene (71-43-2))
Boiling point: 435.1 · 435.1±18.0 °C(Predicted)
Density: 1.209 · 1.209±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.59 · 4.59±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses5-Oxo-2-pyrrolidinepropanoic Acid, can be used for the synthesis of a series of Dihydro-lH-pyrrolizine-3,5(2H,6H)-dion, having the ability to reverse electroconvulsive shock (ECS) induced amnesia in mice.