Basic information
- Standard SMILES
CCOC(=O)C(Cc1cccnc1)(NC(C)=O)C(=O)OCC- InChIKey
DXAPBGAZZFOROI-UHFFFAOYSA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.13722174
Names & identifiers
- Preferred name
- Diethyl acetamido[(pyridin-3-yl)methyl]propanedioate
- IUPAC
- diethyl 2-acetamido-2-(pyridin-3-ylmethyl)propanedioate
Names & synonyms
103733-08-0Diethyl acetamido[(pyridin-3-yl)methyl]propanedioateSCHEMBL5570727SCHEMBL30476792DTXSID50550464DXAPBGAZZFOROI-UHFFFAOYSA-Ndiethyl 2-(3-pyridylmethyl)-2-acetamidomalonatediethyl 2-(acetylamino)-2-(3-pyridylmethyl)malonateEthyl 2-acetamido-2-ethoxycarbonyl-3-(pyridin-3-yl)propionate
Database identifiers
- CAS
103733-08-0- PubChem CID
- 13817914
- DTXSID
DTXSID50550464
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
21 records
Linked notes
Loading…