1H-Cyclopentapyrimidine-1-acetic acid, 2,3,4,5,6,7-hexahydro-2,4-dioxo-3-phenyl-
Basic information
- CAS
49786-40-5- Standard SMILES
O=C(O)Cn1c2c(c(=O)n(-c3ccccc3)c1=O)CCC2- InChIKey
VSVGMINYEOJZMP-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- 1H-Cyclopentapyrimidine-1-acetic acid, 2,3,4,5,6,7-hexahydro-2,4-dioxo-3-phenyl-
- IUPAC
- 2-(2,4-dioxo-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetic acid
- English name
- 2,3,4,5,6,7-Hexahydro-2,4-dioxo-3-phenyl-1H-cyclopentapyrimidine-1-acetic acid
- Molecular formula
- C15H14N2O4
- Molecular weight
- 286.28
Names & synonyms
49786-40-52,3,4,5,6,7-Hexahydro-2,4-dioxo-3-phenyl-1H-cyclopentapyrimidine-1-acetic acid1H-Cyclopentapyrimidine-1-acetic acid, 2,3,4,5,6,7-hexahydro-2,4-dioxo-3-phenyl-BRN 06917571-Carboxymethyl-2,4-dioxo-3-phenyl-1,2,3,4,6,7-hexahydro-5H-cyclopenta(d)pyrimidineDTXSID00198057(2,4-Dioxo-3-phenyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic acid1H-Cyclopentapyrimidine-1-acetic acid, 2,3,4,5,6,7-hexahydro-2,4-dioxo-3-phenyl- (9CI)
Database identifiers
- CAS
49786-40-5- PubChem CID
- 206372
- DTXSID
DTXSID00198057- Nikkaji
- J78.001D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 520
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Compound notes
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