Basic information
- CAS
76988-04-0- Standard SMILES
O=C(O)CCCNC(=O)c1cccnc1Oc1ccccc1- InChIKey
UUEFPAVJPHHQCG-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- Butyric acid, 4-(2-phenoxynicotinamido)-
- IUPAC
- 4-[(2-phenoxypyridine-3-carbonyl)amino]butanoic acid
Names & synonyms
BUTYRIC ACID, 4-(2-PHENOXYNICOTINAMIDO)-76988-04-0BRN 5108802N-(2-Phenozynicotinoyl)-gamma-aminobutyric acidDTXSID10227781RefChem:331295DTXCID601502724-[(2-phenoxypyridine-3-carbonyl)amino]butanoic acid4-[(2-PHENOXYPYRIDIN-3-YL)FORMAMIDO]BUTANOIC ACIDAKOS024358185ST105347ST50987122
Show more names
4-(2-Phenoxypyridine-3-carboxamido)butanoic acid4-[(2-phenoxy-3-pyridyl)carbonylamino]butanoic acid
Database identifiers
- CAS
76988-04-0- PubChem CID
- 53567
- DTXSID
DTXSID10227781- Nikkaji
- J67.403F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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