1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-
Basic information
- CAS
251924-35-3- Standard SMILES
O=C(O)C(=O)CC(=O)c1cccn1CCCc1ccccc1- InChIKey
AUTQBRLQSDCYSL-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-
- IUPAC
- 2,4-dioxo-4-[1-(3-phenylpropyl)pyrrol-2-yl]butanoic acid
Names & synonyms
251924-35-31H-Pyrrole-2-butanoic acid, a,g-dioxo-1-(3-phenylpropyl)-L 731927L-731,9272,4-Dioxo-4-(1-(3-phenyl-propyl)-1H-pyrrol-2-yl)-butyric acid2,4-Dioxo-4-[1-(3-phenyl-propyl)-1H-pyrrol-2-yl]-butyric acid2,4-dioxo-4-[1-(3-phenylpropyl)-1h-pyrrol-2-yl]butanoic acid2,4-dioxo-4-[1-(3-phenylpropyl)pyrrol-2-yl]butanoic acidSCHEMBL7196356DTXSID00179861
Database identifiers
- CAS
251924-35-3- PubChem CID
- 475515
- DTXSID
DTXSID00179861- Nikkaji
- J1.286.344F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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