Diethyl acetamido[(pyridin-3-yl)methyl]propanedioate

HCID 13817914CAS 103733-08-0

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

Related reactions

21 records

Linked notes

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