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Basic information
- Standard SMILES
C=CCCCC1CC1OC(=O)NC(C(=O)OC)C(C)(C)C- InChIKey
XICWIJTZJWEJFY-UHFFFAOYSA-N- Molecular formula
- C16H27NO4
- Average molar mass
- 297.39 g/mol
- Monoisotopic mass
- 297.19400834
Names & identifiers
- Preferred name
- Methyl 3,3-dimethyl-2-[(2-pent-4-enylcyclopropyl)oxycarbonylamino]butanoate
- IUPAC
- methyl 3,3-dimethyl-2-[(2-pent-4-enylcyclopropyl)oxycarbonylamino]butanoate
Names & synonyms
L-Valine,3-methyl-N-[[[(1R,2R)-2-(4-penten-1-yl)cyclopropyl]oxy]carbonyl]-,methyl ester1026200-25-8
Database identifiers
- PubChem CID
- 72246701
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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