Basic information
- Standard SMILES
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cc(C(=O)O)ccc3C)cn2)C1- InChIKey
LQLBGDKWELXAMU-JOCHJYFZSA-N- Molecular formula
- C27H30N4O5
- Average molar mass
- 490.5 g/mol
Names & identifiers
- Preferred name
- US10188653, Example 9
- IUPAC
- 3-[[[2-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrimidine-5-carbonyl]amino]methyl]-4-methylbenzoic acid
Names & synonyms
CHEMBL5983038SCHEMBL17077460LQLBGDKWELXAMU-JOCHJYFZSA-NUS10188653, Example 9BDBM323612(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyl)-4-methylbenzoic acid
Database identifiers
- PubChem CID
- 118366170
- ChEMBL
CHEMBL5983038
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 716
Related reactions
1 records
Compound notes
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