3-(2-Amino-7-oxo-4-phenyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)propanoic acid
Basic information
- CAS
76628-75-6- Standard SMILES
Nc1nc2c(c(-c3ccccc3)n1)CN(CCC(=O)O)C2=O- InChIKey
NFPXGONGFZXQAX-UHFFFAOYSA-N- Molecular formula
- C15H14N4O3
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.10659032
Names & identifiers
- Preferred name
- 3-(2-Amino-7-oxo-4-phenyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)propanoic acid
- IUPAC
- 3-(2-amino-7-oxo-4-phenyl-5H-pyrrolo[3,4-d]pyrimidin-6-yl)propanoic acid
Names & synonyms
76628-75-66H-Pyrrolo[3,4-d]pyrimidine-6-propanoicacid, 2-amino-5,7-dihydro-7-oxo-4-phenyl-NSC1400493-(2-amino-7-oxo-4-phenyl-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)propanoic acidDTXSID40300930NSC-140049DS-009107
Database identifiers
- CAS
76628-75-6- PubChem CID
- 284259
- DTXSID
DTXSID40300930
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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