Basic information
- Standard SMILES
C=CCCCN(C)C(=O)N[C@H](C(=O)OC)C(C)C- InChIKey
NDBDXSDQNMDNQR-NSHDSACASA-N- Molecular formula
- C13H24N2O3
- Average molar mass
- 256.34 g/mol
Names & identifiers
- Preferred name
- Methyl (2S)-3-methyl-2-({[methyl(pent-4-en-1-yl)amino]carbonyl}amino)butanoate
- IUPAC
- methyl (2S)-3-methyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoate
Names & synonyms
SCHEMBL1274030NDBDXSDQNMDNQR-NSHDSACASA-NMethyl (2S)-3-methyl-2-({[methyl(pent-4-en-1-yl)amino]carbonyl}amino)butanoate
Database identifiers
- PubChem CID
- 57617072
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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