4-carbamoyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
Basic information
- CAS
2110-19-2- Standard SMILES
NC(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O- InChIKey
JMKLVQRQCLMCIN-VIFPVBQESA-N- Molecular formula
- C13H12N2O5
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.07462149
Names & identifiers
- Preferred name
- 4-carbamoyl-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
- IUPAC
- 5-amino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
- English name
- (S)-4-Carbamoyl-2-(1,3-dioxo-1,3-di hydro-isoindol-2-yl)-butyric acid
- Molecular formula
- C13H12N2O5
- Molecular weight
- 276.24
Names & synonyms
4-CARBAMOYL-2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANOIC ACIDRefChem:520655998-136-77607-72-95-Amino-2-(1,3-dioxoisoindolin-2-yl)-5-oxopentanoic AcidN-Phthalyl-DL-glutamineN-Phthaloyl-DL-glutamineMFCD004221112-Phthalimidoglutaramic acid5-amino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic aciddl-2-Phthalimidoglutaramic acid2110-19-2
Show more names
(S)-4-CARBAMOYL-2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYRIC ACID
2-Phthalimido-DL-glutaramic acid2H-Isoindole-2-acetic acid, alpha-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-NSC-527451alpha-(3-Amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetic acidN-PhthalylglutaminGlutaramic acid, DL-B7X2N6R4HMCHEMBL1012
Database identifiers
- CAS
2110-19-2、7607-72-9- PubChem CID
- 98204
- ChEMBL
CHEMBL1012- UNII
- B7X2N6R4HM
- EC Number
- 998-136-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…