Basic information
- Standard SMILES
C=CCNC(=O)[C@H](CC=C)NC(=O)OC(C)(C)C- InChIKey
NMQMPSZCZPIBSL-JTQLQIEISA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl {(1S)-1-[(2-propen-1-ylamino)carbonyl]-3-buten-1-yl}carbamate
- IUPAC
- tert-butyl N-[(2S)-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
Names & synonyms
NMQMPSZCZPIBSL-JTQLQIEISA-N1,1-dimethylethyl {(1S)-1-[(2-propen-1-ylamino)carbonyl]-3-buten-1-yl}carbamate
Database identifiers
- PubChem CID
- 86636939
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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