Basic information
- Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(N2CCC(=O)CC2)cc1)C(=O)OCC- InChIKey
ZWIYYSXFMCMEFI-SFHVURJKSA-N- Molecular formula
- C21H28N2O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.19473662
Names & identifiers
- Preferred name
- (2S)-2-[4-(4-Oxo-piperidin-1-yl)-benzoylamino]-pentanedioic acid diethyl ester
- IUPAC
- diethyl (2S)-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL6074471ZWIYYSXFMCMEFI-SFHVURJKSA-N(2S)-2-[4-(4-Oxo-piperidin-1-yl)-benzoylamino]-pentanedioic acid diethyl ester(2S)-2-[4-(4-Oxo-piperidine-1-yl)-benzoylamino]-pentanedioic acid diethyl ester
Database identifiers
- PubChem CID
- 69654880
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
4 records
Compound notes
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