2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid

C16H19N3O3 — CID 131962236

IUPAC2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)Cc1ccc(-n2cccn2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-16(2,15(21)22)11-17-14(20)10-12-4-6-13(7-5-12)19-9-3-8-18-19/h3-9H,10-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyZYMQASQUPYIEPN-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.64
Rot. Bonds6

About 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid

2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid (PubChem CID 131962236) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
PubChem CID131962236
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)Cc1ccc(-n2cccn2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-16(2,15(21)22)11-17-14(20)10-12-4-6-13(7-5-12)19-9-3-8-18-19/h3-9H,10-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyZYMQASQUPYIEPN-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 119200590
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86990308
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
3-methyl-3-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 64671459
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 71967541
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid (CID 131962236) is 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid is CC(C)(CNC(=O)Cc1ccc(-n2cccn2)cc1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
The InChIKey is ZYMQASQUPYIEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,15(21)22)11-17-14(20)10-12-4-6-13(7-5-12)19-9-3-8-18-19/h3-9H,10-11H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 131962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).