8-(Pentanoylamino)octanoic acid
Basic information
- CAS
121428-70-4- Standard SMILES
CCCCC(=O)NCCCCCCCC(=O)O- InChIKey
NIZCRTGCTDRNFK-UHFFFAOYSA-N- Molecular formula
- C13H25NO3
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.18344366
Names & identifiers
- Preferred name
- 8-(Pentanoylamino)octanoic acid
- IUPAC
- 8-(pentanoylamino)octanoic acid
Names & synonyms
8-(pentanoylamino)octanoic acid8BuCONH caprylic acid121428-70-4Octanoic acid, 8-[(1-oxopentyl)amino]-SCHEMBL98278818-PENTANAMIDOOCTANOIC ACIDAAA9/10DTXSID903323878-(Butylcarbonylamino)caprylic acid
Database identifiers
- CAS
121428-70-4- PubChem CID
- 454086
- DTXSID
DTXSID90332387
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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