Basic information
- Standard SMILES
CCOC(=O)/C=C/CC[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
VOWGNXKFOBPBJR-PCYYEKQGSA-N- Molecular formula
- C14H23NO6
- Average molar mass
- 301.34 g/mol
Names & identifiers
- Preferred name
- (S,E)-2-(tert-butoxycarbonylamino)-7-ethoxy-7-oxohept-5-enoic acid
- IUPAC
- (E,2S)-7-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohept-5-enoic acid
Names & synonyms
SCHEMBL15418764VOWGNXKFOBPBJR-PCYYEKQGSA-N(S,E)-2-(tert-butoxycarbonylamino)-7-ethoxy-7-oxohept-5-enoic acid
Database identifiers
- PubChem CID
- 89926005
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
1 records
Compound notes
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