2-[5-(Ethoxycarbonyl)-2-oxo-1-azepanyl]butanoic acid
Basic information
- Standard SMILES
CCOC(=O)C1CCC(=O)N(C(CC)C(=O)O)CC1- InChIKey
LHPSFMFAXDCSKK-UHFFFAOYSA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
Names & identifiers
- Preferred name
- 2-[5-(Ethoxycarbonyl)-2-oxo-1-azepanyl]butanoic acid
- IUPAC
- 2-(5-ethoxycarbonyl-2-oxoazepan-1-yl)butanoic acid
Names & synonyms
SCHEMBL4501049LHPSFMFAXDCSKK-UHFFFAOYSA-N2-[5-(ethoxycarbonyl)-2-oxo-1-azepanyl]butanoic acid
Database identifiers
- PubChem CID
- 21990303
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
3 records
Compound notes
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