N-(1-Oxo-2-propen-1-yl)-D-leucine
Basic information
- CAS
177219-83-9- Standard SMILES
C=CC(=O)N[C@H](CC(C)C)C(=O)O- InChIKey
OFDFPXXXMAPNCC-SSDOTTSWSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- N-(1-Oxo-2-propen-1-yl)-D-leucine
- IUPAC
- (2R)-4-methyl-2-(prop-2-enoylamino)pentanoic acid
Names & synonyms
N-(1-Oxo-2-propen-1-yl)-D-leucineN-Prop-2-enoyl-D-leucineSCHEMBL27828839DTXSID301300010AKOS017438165177219-83-9
Database identifiers
- CAS
177219-83-9- PubChem CID
- 11820331
- DTXSID
DTXSID301300010
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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