Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccnc(NC(=O)OC(C)(C)C)c1)C(=O)OCC- InChIKey
ZOMRVPDQVRKDLQ-UHFFFAOYSA-N- Molecular formula
- C18H26N2O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17908655
Names & identifiers
- Preferred name
- 2-(2-Tert-butoxycarbonylamino-pyridin4-ylmethyl)-malonic acid diethyl ester
- IUPAC
- diethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]propanedioate
Names & synonyms
SCHEMBL6058876ZOMRVPDQVRKDLQ-UHFFFAOYSA-N2-(2-tert-butoxycarbonylamino-pyridin4-ylmethyl)-malonic acid diethyl ester
Database identifiers
- PubChem CID
- 54557970
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
4 records
Linked notes
Loading…