Basic information
- Standard SMILES
CC(C)C(=O)OCCOC(=O)NCC1CCC(C(=O)O)CC1- InChIKey
QTCOTDTWRKCZNN-UHFFFAOYSA-N- Molecular formula
- C15H25NO6
- Average molar mass
- 315.36 g/mol
- Monoisotopic mass
- 315.16818752
Names & identifiers
- Preferred name
- 4-({[(2-Methylpropanoyloxy)ethoxy]carbonylamino}methyl)cyclohexanecarboxylic Acid
- IUPAC
- 4-[[2-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL2146869QTCOTDTWRKCZNN-UHFFFAOYSA-N4-({[(2-Methylpropanoyloxy)ethoxy]carbonylamino}methyl)cyclohexanecarboxylic Acid
Database identifiers
- PubChem CID
- 67294307
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
2 records
Compound notes
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