Basic information
- Standard SMILES
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCC(=O)O2)cc1- InChIKey
BXLJOSYOINPTQU-GJZGRUSLSA-N- Molecular formula
- C18H25NO5
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1732729
Names & identifiers
- Preferred name
- 5(S)-[1(S)-(Boc-Amino)-2-(p-methoxyphenyl)ethyl]dihydrofuran-2-(3H)-one
- IUPAC
- tert-butyl N-[(1S)-2-(4-methoxyphenyl)-1-[(2S)-5-oxooxolan-2-yl]ethyl]carbamate
Names & synonyms
SCHEMBL7633776BXLJOSYOINPTQU-GJZGRUSLSA-N5(S)-[1(S)-(Boc-Amino)-2-(p-methoxyphenyl)ethyl]dihydrofuran-2-(3H)-one
Database identifiers
- PubChem CID
- 53706331
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Related reactions
5 records
Compound notes
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