Basic information
- CAS
4746-69-4- Standard SMILES
O=C(O)CCCC1CCC2NC(=O)NC2C1- InChIKey
LRUOIOPHUZRRFN-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- 4-(2-Oxooctahydro-1h-benzimidazol-5-yl)butanoic acid
- IUPAC
- 4-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)butanoic acid
Names & synonyms
4746-69-44-(2-Oxooctahydro-1H-benzo[d]imidazol-5-yl)butanoic acid4-(2-oxooctahydro-1h-benzimidazol-5-yl)butanoic acidNSC13803SCHEMBL10980779DTXSID80279717NSC-138034-(2-Oxooctahydro-1H-1,3-benzimidazol-5-yl)butanoic acid
Database identifiers
- CAS
4746-69-4- PubChem CID
- 224937
- DTXSID
DTXSID80279717
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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