Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)O- InChIKey
ZIIOTWLGAVCWHK-UHFFFAOYSA-N- Molecular formula
- C16H22N2O6
- Average molar mass
- 338.36 g/mol
- Monoisotopic mass
- 338.14778643
Names & identifiers
- Preferred name
- 2-(2-Tert-butoxycarbonylamino-pyridin4-ylmethyl)-malonic acid monoethyl ester
- IUPAC
- 3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]-3-oxopropanoic acid
Names & synonyms
SCHEMBL6058886ZIIOTWLGAVCWHK-UHFFFAOYSA-N2-(2-tert-butoxycarbonylamino-pyridin4-ylmethyl)-malonic acid monoethyl ester
Database identifiers
- PubChem CID
- 54548642
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
4 records
Compound notes
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