2-Benzyloxycarbonylamino-3-(2-methoxy-pyrimidin-5-yl)-acrylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)C(=Cc1cnc(OC)nc1)NC(=O)OCc1ccccc1- InChIKey
XJHYJPAEAAEODE-UHFFFAOYSA-N- Molecular formula
- C17H17N3O5
- Average molar mass
- 343.33 g/mol
Names & identifiers
- Preferred name
- 2-Benzyloxycarbonylamino-3-(2-methoxy-pyrimidin-5-yl)-acrylic acid methyl ester
- IUPAC
- methyl 3-(2-methoxypyrimidin-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
Names & synonyms
SCHEMBL3593264XJHYJPAEAAEODE-UHFFFAOYSA-N2-Benzyloxycarbonylamino-3-(2-methoxy-pyrimidin-5-yl)-acrylic acid methyl ester
Database identifiers
- PubChem CID
- 68705877
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
4 records
Compound notes
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