[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate

C₁₉H₂₅N₃O₄ — CID 8750974

About [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate (PubChem CID 8750974) has the molecular formula C₁₉H₂₅N₃O₄ and a molecular weight of 359.43 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate
• PubChem CID: 8750974
• Molecular Formula: C₁₉H₂₅N₃O₄
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.18
• IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate
• SMILES: Cc1ccccc1OCCC(=O)O[C@H](C)C(=O)Nc1c(C)nn(C)c1C
• InChI: InChI=1S/C19H25N3O4/c1-12-8-6-7-9-16(12)25-11-10-17(23)26-15(4)19(24)20-18-13(2)21-22(5)14(18)3/h6-9,15H,10-11H2,1-5H3,(H,20,24)/t15-/m1/s1
• InChIKey: RLOGLTJZNHUMHD-OAHLLOKOSA-N
• XLogP: 2.68
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate?

The IUPAC name of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate (CID 8750974) is [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate.

What is the SMILES notation for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate?

The canonical SMILES for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)O[C@H](C)C(=O)Nc1c(C)nn(C)c1C.

What is the InChIKey of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate?

The InChIKey is RLOGLTJZNHUMHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-8-6-7-9-16(12)25-11-10-17(23)26-15(4)19(24)20-18-13(2)21-22(5)14(18)3/h6-9,15H,10-11H2,1-5H3,(H,20,24)/t15-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate?

[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate has a molecular weight of 359.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 8750974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8750974 — identifiers, structure, computed properties (public domain)

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