2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid

C16H19N3O3 — CID 119200590

IUPAC2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
SMILESCN(C(=O)Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-16(2,15(21)22)18(3)14(20)11-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyBFSXVEBRBKUALJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid (PubChem CID 119200590) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
PubChem CID119200590
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
SMILESCN(C(=O)Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-16(2,15(21)22)18(3)14(20)11-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyBFSXVEBRBKUALJ-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid (CID 119200590) is 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid is CN(C(=O)Cc1ccc(-n2cccn2)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The InChIKey is BFSXVEBRBKUALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,15(21)22)18(3)14(20)11-12-5-7-13(8-6-12)19-10-4-9-17-19/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).