3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]propanoic acid
Basic information
- CAS
2229976-18-3- Standard SMILES
O=C(O)CCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O- InChIKey
HCRHUBHUCKNBOP-UHFFFAOYSA-N- Molecular formula
- C16H16N2O5
- Average molar mass
- 316.31 g/mol
- Monoisotopic mass
- 316.10592162
Names & identifiers
- Preferred name
- 3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]propanoic acid
- IUPAC
- 3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanoic acid
Names & synonyms
2229976-18-33-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]propanoic acidSCHEMBL20242436NCGC01443803-01DB-391346EN300-37081314Z52972650083-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanoic acid2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindole-4-propanoic acid
Database identifiers
- CAS
2229976-18-3- PubChem CID
- 134589517
- EC Number
- 174-161-1
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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