2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid

C16H20N2O3 — CID 166028149

IUPAC2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C)(C)OC(Cc1ccccc1)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C16H20N2O3/c1-15(2,3)21-16(14(19)20,13-9-10-17-18-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBCSZYCODFVRGCD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid

2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 166028149) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID166028149
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C)(C)OC(Cc1ccccc1)(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C16H20N2O3/c1-15(2,3)21-16(14(19)20,13-9-10-17-18-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBCSZYCODFVRGCD-UHFFFAOYSA-N
XLogP2.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-methylpropan-2-yl)oxy]-3-phenylpropanoic acid
CID 114992406
2-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 146282618
2-chloro-2-phenylmethoxy-2-(1H-pyrazol-5-yl)acetamide
CID 175607035
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301
2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid
CID 164838203
tert-butyl (2S)-2-amino-2-benzyl-3-oxobutanoate
CID 102233741
3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid
CID 167284091
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
tert-butyl 2-benzyl-2-methyl-3-oxobutanoate
CID 102300490
2-methoxy-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 148887075

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid (CID 166028149) is 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid is CC(C)(C)OC(Cc1ccccc1)(C(=O)O)c1ccn[nH]1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is BCSZYCODFVRGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-15(2,3)21-16(14(19)20,13-9-10-17-18-13)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid?
2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 166028149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).