Basic information
- Standard SMILES
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2c(c1)OCO2- InChIKey
LSWZFWPMIOHBFY-LLVKDONJSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
Names & identifiers
- Preferred name
- (R)-methyl 2-(benzo[d][1,3]dioxole-6-carboxamido)-4-methylpentanoate
- IUPAC
- methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-4-methylpentanoate
Names & synonyms
SCHEMBL703033CHEMBL3717242LSWZFWPMIOHBFY-LLVKDONJSA-NBDBM253701US9459250, A45(R)-methyl 2-(benzo[d][1,3]-dioxole-6-carboxamido)-4-methylpentanoate(R)-methyl 2-(benzo[d][1,3]dioxole-6-carboxamido)-4-methylpentanoate
Database identifiers
- PubChem CID
- 797901
- ChEMBL
CHEMBL3717242
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
6 records
Compound notes
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