3-[2-Amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
Basic information
- CAS
76628-77-8- Standard SMILES
Nc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(CCC(=O)O)C2=O- InChIKey
DKAKXTMOKIYELP-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4O3
- Average molar mass
- 332.74 g/mol
- Monoisotopic mass
- 332.067618
Names & identifiers
- Preferred name
- 3-[2-Amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
- IUPAC
- 3-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid
Names & synonyms
76628-77-83-(2-Amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propanoic acid3-[2-amino-4-(4-chlorophenyl)-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acidNSC1400513-[2-amino-4-(4-chlorophenyl)-7-oxo-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acid3-[3-amino-5-(4-chlorophenyl)-9-oxo-2,4,8-triazabicyclo[4.3.0]nona-1,3,5-trien-8-yl]propanoic acidDTXSID60300932NSC-1400513-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoic acidDS-004719
Database identifiers
- CAS
76628-77-8- PubChem CID
- 284261
- DTXSID
DTXSID60300932
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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