Basic information
- CAS
60676-54-2- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)NC(Cc1ccccc1)C(=O)O- InChIKey
BAIZNEMAFFNNOX-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592161
Names & identifiers
- Preferred name
- N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]phenylalanine
- IUPAC
- 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
- English name
- N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-phenyl-DL-alanine
- Molecular formula
- C19H16N2O5
- Molecular weight
- 352.34
Names & synonyms
60676-54-2MLS002703462NSC98649EINECS 262-370-1N-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]phenylalanineN-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanineCHEMBL1893031SCHEMBL11465874BAIZNEMAFFNNOX-UHFFFAOYSA-NDTXSID401166188NSC 98649NSC-98649
Show more names
N-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-DL-phenylalanine(±)-N-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]phenylalanineN-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-phenyl-DL-alaninePhenylalanine, N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI)
AKOS015939224SMR001570180DB-298551N-[(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)acetyl ]-3-phenyl-dl-alaninePhenylalanine, N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-
Database identifiers
- CAS
60676-54-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- Boiling point
- 637.7 · 637.7±55.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 3.49 · 3.49±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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