tert-butyl (E,2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
Basic information
- CAS
1821799-31-8- Standard SMILES
C/C=C/[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
QKTLCAYPWQCFCV-GSGCRYEPSA-N- Molecular formula
- C16H29NO4
- Average molar mass
- 299.41 g/mol
- Monoisotopic mass
- 299.20965841
Names & identifiers
- Preferred name
- tert-butyl (E,2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
- IUPAC
- tert-butyl (E,2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
Names & synonyms
DTXSID7011113821821799-31-84-Hexenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, 1,1-dimethylethyl ester, (2S,3S,4E)-
Database identifiers
- CAS
1821799-31-8- PubChem CID
- 11001039
- DTXSID
DTXSID701111382- Nikkaji
- J1.149.615F、J1.641.644D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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