Methyl N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-beta-alaninate
Basic information
- CAS
1099614-16-0- Standard SMILES
COC(=O)CCNc1ccc2c(c1)C(=O)N(C)C2=O- InChIKey
RLFARWVUMYALQG-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Methyl N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-beta-alaninate
- IUPAC
- methyl 3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanoate
Names & synonyms
DTXSID4011459261099614-16-0Methyl N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-beta-alaninateN-(2,3-Dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)-I(2)-alanine methyl ester
Database identifiers
- CAS
1099614-16-0- PubChem CID
- 43365359
- DTXSID
DTXSID401145926
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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